chempirical

Ethyl 4-acetyl-5-oxohexanoate

C10H16O4CAS 2832-10-2200.23 g/mol

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Properties

Molecular formula
C10H16O4
Molar mass
200.23 g/mol
Exact mass
200.1049 Da
Density
1.0668 g/mL (at 16 °C)
Boiling point
182 °C (at 48 Torr)
logP
1.12Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
2832-10-2
SMILES
CCOC(=O)CCC(C(C)=O)C(C)=O
InChIKey
YRSGDLIATOURQO-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O4/c1-4-14-10(13)6-5-9(7(2)11)8(3)12/h9H,4-6H2,1-3H3

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Names and synonyms

1 names
  • Hexanoic acid, 4-acetyl-5-oxo-, ethyl ester

Work with Ethyl 4-acetyl-5-oxohexanoate

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

Diethyl α-acetylglutarate1501-06-081 % similar Diethyl 2-acetylsuccinate1115-30-660 % similar Diethyl glutarate818-38-255 % similar Ethyl butyrate105-54-452 % similar Diethyl sebacate110-40-752 % similar Diethyl pimelate2050-20-652 % similar Diethyl suberate2050-23-952 % similar Diethyl azelate624-17-952 % similar

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

Same formula

4-(2-Oxiranylmethoxy)butyl 2-propenoate119692-59-0 D-Camphoric acid124-83-4 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-4 Diethyl allylmalonate2049-80-1 1,4-Dipropyl (2Z)-2-butenedioate2432-63-5 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2 Diethyl 1,1-cyclobutanedicarboxylate3779-29-1 1,1-Cyclohexanediacetic acid4355-11-7

Elsewhere

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