chempirical

Diethyl 2-acetylsuccinate

C10H16O5CAS 1115-30-6216.23 g/mol

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Properties

Molecular formula
C10H16O5
Molar mass
216.23 g/mol
Exact mass
216.0998 Da
Density
1.0783 g/mL (at 25 °C)
Boiling point
255 °C
logP
0.71Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Hazards

Not classified as hazardous under GHS by 6 ECHA notifiers. Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1115-30-6
SMILES
CCOC(=O)CC(C(C)=O)C(=O)OCC
InChIKey
DVSDDICSXBCMQJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3

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Names and synonyms

10 names
  • Butanedioic acid, 2-acetyl-, 1,4-diethyl ester
  • Succinic acid, acetyl-, diethyl ester
  • Butanedioic acid, acetyl-, diethyl ester
  • Diethyl acetylsuccinate
  • Acetylsuccinic acid diethyl ester
  • Ethyl acetylsuccinate
  • Diethyl acetosuccinate
  • NSC 233
  • 2-Acetylsuccinic acid diethyl ester
  • 1,4-Diethyl 2-acetylbutanedioate

Reactions

Work with Diethyl 2-acetylsuccinate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triethyl 1,1,2-ethanetricarboxylate7459-46-377 % similar Diethyl α-acetylglutarate1501-06-071 % similar Ethyl 2-ethylacetoacetate607-97-667 % similar Ethyl 4-acetyl-5-oxohexanoate2832-10-260 % similar 2-Acetylhexanoic acid ethyl ester1540-29-059 % similar Ethyl 2-acetyloctanoate29214-60-656 % similar 1,4-Dimethyl 2-acetylbutanedioate10420-33-456 % similar 1,1,2,3-Tetraethyl 1,1,2,3-propanetetracarboxylate635-03-056 % similar

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

Same formula

Diethyl (ethoxymethylene)malonate87-13-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook