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Dicarbonyl Compounds

Organic compounds that contain two carbonyl functional groups; a carbonyl functional group consists of a carbon atom with a double bond to an oxygen atom (C=O).

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1

Dimethyl isobutylmalonate, 98%, Thermo Scientific™

CAS: 39520-24-6 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00015640 InChI Key: GAZFDPSEEIVCEX-UHFFFAOYSA-N Synonym: dimethyl isobutylmalonate,dimethyl 2-isobutylmalonate,dimethylisobutylmalonate,propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester,propanedioic acid, 2-methylpropyl-, dimethyl ester,1,3-dimethyl 2-2-methylpropyl propanedioate,malonic acid, isobutyl-, dimethyl ester,acmc-1ailj,dimethyl2-isobutylmalonate PubChem CID: 170218 IUPAC Name: dimethyl 2-(2-methylpropyl)propanedioate SMILES: COC(=O)C(CC(C)C)C(=O)OC

PubChem CID 170218
CAS 39520-24-6
Molecular Weight (g/mol) 188.22
MDL Number MFCD00015640
SMILES COC(=O)C(CC(C)C)C(=O)OC
Synonym dimethyl isobutylmalonate,dimethyl 2-isobutylmalonate,dimethylisobutylmalonate,propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester,propanedioic acid, 2-methylpropyl-, dimethyl ester,1,3-dimethyl 2-2-methylpropyl propanedioate,malonic acid, isobutyl-, dimethyl ester,acmc-1ailj,dimethyl2-isobutylmalonate
IUPAC Name dimethyl 2-(2-methylpropyl)propanedioate
InChI Key GAZFDPSEEIVCEX-UHFFFAOYSA-N
Molecular Formula C9H16O4
2

Diethyl phenylmalonate, 98%, Thermo Scientific Chemicals

CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.267 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

PubChem CID 66514
CAS 83-13-6
Molecular Weight (g/mol) 236.267
MDL Number MFCD00009144
SMILES CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
Synonym diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate
IUPAC Name diethyl 2-phenylpropanedioate
InChI Key FGYDHYCFHBSNPE-UHFFFAOYSA-N
Molecular Formula C13H16O4
3

tert-Butyl ethyl malonate, 97%, Thermo Scientific Chemicals

CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

PubChem CID 96345
CAS 32864-38-3
Molecular Weight (g/mol) 188.22
MDL Number MFCD00009193
SMILES CCOC(=O)CC(=O)OC(C)(C)C
Synonym tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate
IUPAC Name 3-O-tert-butyl 1-O-ethyl propanedioate
InChI Key OCOBFMZGRJOSOU-UHFFFAOYSA-N
Molecular Formula C9H16O4
4

Methyl 4-oxotetrahydrothiophene-3-carboxylate, Technical Grade, Thermo Scientific™

CAS: 2689-68-1 Molecular Formula: C6H8O3S Molecular Weight (g/mol): 160.187 InChI Key: LEAKUJFYXNILRB-UHFFFAOYSA-N Synonym: methyl 4-oxotetrahydrothiophene-3-carboxylate,4-carbomethoxytetrahydro-3-thiophenone,4-carbomethoxy-3-thiophanone,3-thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester,methyl tetrahydro-4-oxo-3-thiophenecarboxylate,methyl 3-oxotetrahydrothiophene-4-carboxylate,4-carbomethoxytetrahydro-3-thi ophenone,methyl 4-oxo-tetrahydrothiophene-3-carboxylate,methyl 4-oxo-2,3,5-trihydrothiophene-3-carboxylate,methyl tetrahydro-4-oxo-3-thenoate PubChem CID: 98424 IUPAC Name: methyl 4-oxothiolane-3-carboxylate SMILES: COC(=O)C1CSCC1=O

PubChem CID 98424
CAS 2689-68-1
Molecular Weight (g/mol) 160.187
SMILES COC(=O)C1CSCC1=O
Synonym methyl 4-oxotetrahydrothiophene-3-carboxylate,4-carbomethoxytetrahydro-3-thiophenone,4-carbomethoxy-3-thiophanone,3-thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester,methyl tetrahydro-4-oxo-3-thiophenecarboxylate,methyl 3-oxotetrahydrothiophene-4-carboxylate,4-carbomethoxytetrahydro-3-thi ophenone,methyl 4-oxo-tetrahydrothiophene-3-carboxylate,methyl 4-oxo-2,3,5-trihydrothiophene-3-carboxylate,methyl tetrahydro-4-oxo-3-thenoate
IUPAC Name methyl 4-oxothiolane-3-carboxylate
InChI Key LEAKUJFYXNILRB-UHFFFAOYSA-N
Molecular Formula C6H8O3S
5

2-Methylmalonamide, 95%, Thermo Scientific Chemicals

CAS: 1113-63-9 Molecular Formula: C4H8N2O2 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00043625 InChI Key: CGRKYGKHZOCPSZ-UHFFFAOYSA-N Synonym: 2-methylmalonamide,2-methylmalonodiamide,methylmalonamide,methyl malonamide,2-methyl malonamide,acmc-20anpx,propanediamide, 2-methyl PubChem CID: 227804 IUPAC Name: 2-methylpropanediamide SMILES: CC(C(N)=O)C(N)=O

PubChem CID 227804
CAS 1113-63-9
Molecular Weight (g/mol) 116.12
MDL Number MFCD00043625
SMILES CC(C(N)=O)C(N)=O
Synonym 2-methylmalonamide,2-methylmalonodiamide,methylmalonamide,methyl malonamide,2-methyl malonamide,acmc-20anpx,propanediamide, 2-methyl
IUPAC Name 2-methylpropanediamide
InChI Key CGRKYGKHZOCPSZ-UHFFFAOYSA-N
Molecular Formula C4H8N2O2
6

Diethyl n-butylmalonate, 99%, Thermo Scientific™

CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester PubChem CID: 67244 IUPAC Name: diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC

PubChem CID 67244
CAS 133-08-4
Molecular Weight (g/mol) 216.28
MDL Number MFCD00009170
SMILES CCCCC(C(=O)OCC)C(=O)OCC
Synonym diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester
IUPAC Name diethyl 2-butylpropanedioate
InChI Key RPNFNBGRHCUORR-UHFFFAOYSA-N
Molecular Formula C11H20O4
7

Diethyl sec-butylmalonate, 96%, Thermo Scientific™

CAS: 83-27-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00015194 InChI Key: MIIZSUOEOUHAIZ-UHFFFAOYSA-N Synonym: diethyl sec-butylmalonate,diethyl 2-sec-butyl malonate,sec-butylmalonic acid diethyl ester,diethyl 1-methylpropyl malonate,diethyl 1-methylpropylmalonate,sec-butylmalonic acid, diethyl ester,1,3-diethyl 2-sec-butyl propanedioate,diethyl s-butylmalonate,diethylsec-butylmalonate,acmc-209prt PubChem CID: 78940 IUPAC Name: diethyl 2-butan-2-ylpropanedioate SMILES: CCC(C)C(C(=O)OCC)C(=O)OCC

PubChem CID 78940
CAS 83-27-2
Molecular Weight (g/mol) 216.277
MDL Number MFCD00015194
SMILES CCC(C)C(C(=O)OCC)C(=O)OCC
Synonym diethyl sec-butylmalonate,diethyl 2-sec-butyl malonate,sec-butylmalonic acid diethyl ester,diethyl 1-methylpropyl malonate,diethyl 1-methylpropylmalonate,sec-butylmalonic acid, diethyl ester,1,3-diethyl 2-sec-butyl propanedioate,diethyl s-butylmalonate,diethylsec-butylmalonate,acmc-209prt
IUPAC Name diethyl 2-butan-2-ylpropanedioate
InChI Key MIIZSUOEOUHAIZ-UHFFFAOYSA-N
Molecular Formula C11H20O4
8

Dimethyl (2-thienylmethyl)malonate, 95%, Thermo Scientific™

CAS: 122308-25-2 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.26 MDL Number: MFCD08436111 InChI Key: PIIHAJHYNTWOAF-UHFFFAOYSA-N Synonym: dimethyl 2-thienylmethyl malonate,dimethyl 2-thiophen-2-ylmethyl malonate,1,3-dimethyl 2-thiophen-2-ylmethyl propanedioate,acmc-1c16u,2-thienylmethyl malonic acid dimethyl ester,dimethyl thiophen-2-yl methyl propanedioate,propanedioic acid,2-2-thienylmethyl-, 1,3-dimethyl ester PubChem CID: 14425092 IUPAC Name: dimethyl 2-(thiophen-2-ylmethyl)propanedioate SMILES: COC(=O)C(CC1=CC=CS1)C(=O)OC

PubChem CID 14425092
CAS 122308-25-2
Molecular Weight (g/mol) 228.26
MDL Number MFCD08436111
SMILES COC(=O)C(CC1=CC=CS1)C(=O)OC
Synonym dimethyl 2-thienylmethyl malonate,dimethyl 2-thiophen-2-ylmethyl malonate,1,3-dimethyl 2-thiophen-2-ylmethyl propanedioate,acmc-1c16u,2-thienylmethyl malonic acid dimethyl ester,dimethyl thiophen-2-yl methyl propanedioate,propanedioic acid,2-2-thienylmethyl-, 1,3-dimethyl ester
IUPAC Name dimethyl 2-(thiophen-2-ylmethyl)propanedioate
InChI Key PIIHAJHYNTWOAF-UHFFFAOYSA-N
Molecular Formula C10H12O4S
9

Dimethyl (1-ethylpropyl)malonate, 97%, Thermo Scientific™

CAS: 39520-19-9 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD08436116 InChI Key: LHJTVXUTWGDTQT-UHFFFAOYSA-N Synonym: dimethyl 1-ethylpropyl malonate,dimethyl 2-1-ethylpropyl malonate,acmc-20al7d,dimethyl diethylmethyl malonate,dimethyl pentan-3-yl propanedioate,1-ethylpropyl malonic acid dimethyl ester,dimethyl 2-ethylpropyl propane-1,3-dioate,1,3-dimethyl 2-pentan-3-yl propanedioate PubChem CID: 42552954 IUPAC Name: dimethyl 2-pentan-3-ylpropanedioate SMILES: CCC(CC)C(C(=O)OC)C(=O)OC

PubChem CID 42552954
CAS 39520-19-9
Molecular Weight (g/mol) 202.25
MDL Number MFCD08436116
SMILES CCC(CC)C(C(=O)OC)C(=O)OC
Synonym dimethyl 1-ethylpropyl malonate,dimethyl 2-1-ethylpropyl malonate,acmc-20al7d,dimethyl diethylmethyl malonate,dimethyl pentan-3-yl propanedioate,1-ethylpropyl malonic acid dimethyl ester,dimethyl 2-ethylpropyl propane-1,3-dioate,1,3-dimethyl 2-pentan-3-yl propanedioate
IUPAC Name dimethyl 2-pentan-3-ylpropanedioate
InChI Key LHJTVXUTWGDTQT-UHFFFAOYSA-N
Molecular Formula C10H18O4
10

Alfa Aesar™ Diethyl (2-pentyl)malonate, 94%, Thermo Scientific™

CAS: 117-47-5 Molecular Formula: C12H22O4 Molecular Weight (g/mol): 230.30 MDL Number: MFCD00051558 InChI Key: RQFSNEWORATSCC-UHFFFAOYNA-N Synonym: diethyl 1-methylbutyl malonate,diethyl 2-pentyl malonate,diethyl 1-methylbutylmalonate,diethyl 1-methylbutal malonate,1-methylbutyl malonic ester,1-methylbutyl malonic acid diethyl ester,diethyl pentan-2-ylmalonate,acmc-1brsl,diethyl sec-amyl malonate PubChem CID: 95449 IUPAC Name: diethyl 2-pentan-2-ylpropanedioate SMILES: CCCC(C)C(C(=O)OCC)C(=O)OCC

PubChem CID 95449
CAS 117-47-5
Molecular Weight (g/mol) 230.30
MDL Number MFCD00051558
SMILES CCCC(C)C(C(=O)OCC)C(=O)OCC
Synonym diethyl 1-methylbutyl malonate,diethyl 2-pentyl malonate,diethyl 1-methylbutylmalonate,diethyl 1-methylbutal malonate,1-methylbutyl malonic ester,1-methylbutyl malonic acid diethyl ester,diethyl pentan-2-ylmalonate,acmc-1brsl,diethyl sec-amyl malonate
IUPAC Name diethyl 2-pentan-2-ylpropanedioate
InChI Key RQFSNEWORATSCC-UHFFFAOYNA-N
Molecular Formula C12H22O4
11

Diethyl (3,4-dichlorophenyl)malonate, 95%, Thermo Scientific™

CAS: 28751-26-0 Molecular Formula: C13H14Cl2O4 Molecular Weight (g/mol): 305.15 MDL Number: MFCD02180874 InChI Key: GZSMDWSQPZMQDV-UHFFFAOYSA-N PubChem CID: 6710867 IUPAC Name: diethyl 2-(3,4-dichlorophenyl)propanedioate SMILES: CCOC(=O)C(C(=O)OCC)C1=CC(Cl)=C(Cl)C=C1

PubChem CID 6710867
CAS 28751-26-0
Molecular Weight (g/mol) 305.15
MDL Number MFCD02180874
SMILES CCOC(=O)C(C(=O)OCC)C1=CC(Cl)=C(Cl)C=C1
IUPAC Name diethyl 2-(3,4-dichlorophenyl)propanedioate
InChI Key GZSMDWSQPZMQDV-UHFFFAOYSA-N
Molecular Formula C13H14Cl2O4
12

tert-Butyl methyl malonate, 95%, Thermo Scientific Chemicals

CAS: 42726-73-8 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00042856 InChI Key: XPSYZCWYRWHVCC-UHFFFAOYSA-N Synonym: tert-butyl methyl malonate,t-butyl methyl malonate,1-tert-butyl 3-methyl propanedioate,acmc-20ajkv,tert-butyl methylmalote,pubchem20476,methyl tert-butyl malonate,ksc493c8h,tert-butyl methyl malonaoate PubChem CID: 2733872 IUPAC Name: 3-O-tert-butyl 1-O-methyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC

PubChem CID 2733872
CAS 42726-73-8
Molecular Weight (g/mol) 174.196
MDL Number MFCD00042856
SMILES CC(C)(C)OC(=O)CC(=O)OC
Synonym tert-butyl methyl malonate,t-butyl methyl malonate,1-tert-butyl 3-methyl propanedioate,acmc-20ajkv,tert-butyl methylmalote,pubchem20476,methyl tert-butyl malonate,ksc493c8h,tert-butyl methyl malonaoate
IUPAC Name 3-O-tert-butyl 1-O-methyl propanedioate
InChI Key XPSYZCWYRWHVCC-UHFFFAOYSA-N
Molecular Formula C8H14O4
13

Dimethyl (2-methylbutyl)malonate, 97%, Thermo Scientific™

CAS: 59107-99-2 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD08436117 InChI Key: NYHSCTJAXMPYJG-UHFFFAOYSA-N Synonym: dimethyl 2-methylbutyl malonate,dimethyl 2-2-methylbutyl malonate,dimethyl 2-methylbutyl propanedioate,dimethyl 2-2-methylbutyl propanedioate,2-methylbutyl malonic acid dimethyl ester,1,3-dimethyl 2-2-methylbutyl propanedioate PubChem CID: 46779063 IUPAC Name: dimethyl 2-(2-methylbutyl)propanedioate SMILES: CCC(C)CC(C(=O)OC)C(=O)OC

PubChem CID 46779063
CAS 59107-99-2
Molecular Weight (g/mol) 202.25
MDL Number MFCD08436117
SMILES CCC(C)CC(C(=O)OC)C(=O)OC
Synonym dimethyl 2-methylbutyl malonate,dimethyl 2-2-methylbutyl malonate,dimethyl 2-methylbutyl propanedioate,dimethyl 2-2-methylbutyl propanedioate,2-methylbutyl malonic acid dimethyl ester,1,3-dimethyl 2-2-methylbutyl propanedioate
IUPAC Name dimethyl 2-(2-methylbutyl)propanedioate
InChI Key NYHSCTJAXMPYJG-UHFFFAOYSA-N
Molecular Formula C10H18O4
14

Dimethyl (4-methoxybenzyl)malonate, 95%, Thermo Scientific™

CAS: 15378-09-3 Molecular Formula: C13H16O5 Molecular Weight (g/mol): 252.266 MDL Number: MFCD08436113 InChI Key: GXDFOJRQIDXKIH-UHFFFAOYSA-N Synonym: dimethyl 2-4-methoxybenzyl malonate,4-methoxybenzyl malonic acid dimethyl ester,1,3-dimethyl 2-4-methoxyphenyl methyl propanedioate,acmc-1bt9b,dimethyl 4-methoxybenzyl malonate,dimethyl 2 4-methoxybenzyl malonate,dimethyl 4-methoxyphenyl methyl propanedioate,propanedioic acid,2-4-methoxyphenyl methyl-, 1,3-dimethyl ester PubChem CID: 12567675 IUPAC Name: dimethyl 2-[(4-methoxyphenyl)methyl]propanedioate SMILES: COC1=CC=C(C=C1)CC(C(=O)OC)C(=O)OC

PubChem CID 12567675
CAS 15378-09-3
Molecular Weight (g/mol) 252.266
MDL Number MFCD08436113
SMILES COC1=CC=C(C=C1)CC(C(=O)OC)C(=O)OC
Synonym dimethyl 2-4-methoxybenzyl malonate,4-methoxybenzyl malonic acid dimethyl ester,1,3-dimethyl 2-4-methoxyphenyl methyl propanedioate,acmc-1bt9b,dimethyl 4-methoxybenzyl malonate,dimethyl 2 4-methoxybenzyl malonate,dimethyl 4-methoxyphenyl methyl propanedioate,propanedioic acid,2-4-methoxyphenyl methyl-, 1,3-dimethyl ester
IUPAC Name dimethyl 2-[(4-methoxyphenyl)methyl]propanedioate
InChI Key GXDFOJRQIDXKIH-UHFFFAOYSA-N
Molecular Formula C13H16O5
15

Methyl 3-oxotetrahydrothiophene-2-carboxylate, 98%, Thermo Scientific™

CAS: 2689-69-2 Molecular Formula: C6H8O3S Molecular Weight (g/mol): 160.187 MDL Number: MFCD00156156 InChI Key: TUSSXVYKOOVOID-UHFFFAOYSA-N Synonym: methyl 3-oxotetrahydrothiophene-2-carboxylate,2-thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester,methyl tetrahydro-3-oxo-2-thenoate,methyl 3-oxo-2,3,4,5-tetrahydrothiophene-2-carboxylate,acmc-1cmcz,2-methoxycarbonyl-3-oxotetrahydrothiophene,methyl 3-oxo-tetrahydrothiophene-2-carboxylate,2-carbomethoxy-2,3,4,5-tetrahydrothiophen-3-one,methyl 3-oxo-2,4,5-trihydrothiophene-2-carboxylate PubChem CID: 102870 IUPAC Name: methyl 3-oxothiolane-2-carboxylate SMILES: COC(=O)C1C(=O)CCS1

PubChem CID 102870
CAS 2689-69-2
Molecular Weight (g/mol) 160.187
MDL Number MFCD00156156
SMILES COC(=O)C1C(=O)CCS1
Synonym methyl 3-oxotetrahydrothiophene-2-carboxylate,2-thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester,methyl tetrahydro-3-oxo-2-thenoate,methyl 3-oxo-2,3,4,5-tetrahydrothiophene-2-carboxylate,acmc-1cmcz,2-methoxycarbonyl-3-oxotetrahydrothiophene,methyl 3-oxo-tetrahydrothiophene-2-carboxylate,2-carbomethoxy-2,3,4,5-tetrahydrothiophen-3-one,methyl 3-oxo-2,4,5-trihydrothiophene-2-carboxylate
IUPAC Name methyl 3-oxothiolane-2-carboxylate
InChI Key TUSSXVYKOOVOID-UHFFFAOYSA-N
Molecular Formula C6H8O3S