chempirical

1,4-Diethyl 2-(2-oxopropyl)butanedioate

C11H18O5CAS 1187-74-2230.26 g/mol

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Properties

Molecular formula
C11H18O5
Molar mass
230.26 g/mol
Exact mass
230.1154 Da
Boiling point
135 °C (at 1.3 Torr)
logP
1.10Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Identifiers

CAS number
1187-74-2
SMILES
CCOC(=O)CC(CC(C)=O)C(=O)OCC
InChIKey
AAPVOVKOHNCXJA-UHFFFAOYSA-N
InChI
InChI=1S/C11H18O5/c1-4-15-10(13)7-9(6-8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Butanedioic acid, 2-(2-oxopropyl)-, 1,4-diethyl ester
  • Succinic acid, acetonyl-, diethyl ester
  • Butanedioic acid, (2-oxopropyl)-, diethyl ester
  • Diethyl acetonylsuccinate
  • (2-Oxopropyl)butanedioic acid diethyl ester

Work with 1,4-Diethyl 2-(2-oxopropyl)butanedioate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triethyl 1,1,2-ethanetricarboxylate7459-46-359 % similar Diethyl 2-acetylsuccinate1115-30-655 % similar 1,1,2,3-Tetraethyl 1,1,2,3-propanetetracarboxylate635-03-054 % similar Ethyl cyclopropanecarboxylate4606-07-952 % similar Ethyl levulinate539-88-851 % similar Ethyl 5-oxohexanoate13984-57-150 % similar Ethyl isovalerate108-64-549 % similar Ethyl cyclobutanecarboxylate14924-53-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diethyl α-acetylglutarate1501-06-0 Diethyl γ-ketopimelate6317-49-3

Elsewhere

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