chempirical

Ethyl 3-oxopent-4-enoate

C7H10O3CAS 22418-80-0142.15 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C7H10O3
Molar mass
142.15 g/mol
Exact mass
142.0630 Da
logP
0.69Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
22418-80-0
SMILES
CCOC(=O)CC(=O)C=C
InChIKey
IEZWUJDDYLWKEP-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3

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Names and synonyms

3 names
  • Ethyl 3-oxo-4-pentenoate
  • 3-Oxo-pent-4-enoic acid ethyl ester
  • 4-Pentenoic acid,3-oxo-, ethyl ester

Work with Ethyl 3-oxopent-4-enoate

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 1,3-acetonedicarboxylate105-50-055 % similar Ethyl acrylate140-88-553 % similar Ethyl 4-pentenoate1968-40-752 % similar Ethyl 3-chloro-3-oxopropanoate36239-09-550 % similar Ethyl 3-oxopentanoate4949-44-450 % similar Ethyl pivaloylacetate17094-34-748 % similar 1-Penten-3-one1629-58-948 % similar Diethyl glutarate818-38-248 % similar

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

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9 Methyl β-oxocyclopropanepropanoate32249-35-7

Elsewhere

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