Ethyl 3-oxocyclopentane-1-carboxylate

C8H12O3CAS 5400-79-3156.18 g/mol

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OOO
EsterKetone

Properties

Molecular formula
C8H12O3
Molar mass
156.18 g/mol
Exact mass
156.0786 Da
logP
0.92Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
5400-79-3
SMILES
CCOC(=O)C1CCC(=O)C1
InChIKey
VGJWAMLZUUGEQY-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6H,2-5H2,1H3

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Names and synonyms

1 names
  • Ethyl 3-oxocyclopentanecarboxylate

Work with Ethyl 3-oxocyclopentane-1-carboxylate

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

Ethyl 3-oxocyclohexanecarboxylate33668-25-681 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-479 % similar Ethyl 3-oxo cyclobuatne carboxylate87121-89-972 % similar Methyl 3-oxocyclopentane-1-carboxylate32811-75-963 % similar Ethyl cyclopropanecarboxylate4606-07-962 % similar Ethyl cyclobutanecarboxylate14924-53-958 % similar Ethyl cyclohexanecarboxylate3289-28-956 % similar Ethyl tetrahydropyran-4-carboxylate96835-17-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oxolan-2-yl 2-methylprop-2-enoate15895-80-4 Tetrahydrofurfuryl acrylate2399-48-6 Ethyl 3-cyclopropyl-3-oxopropanoate24922-02-9 Ethyl 1-acetylcyclopropanecarboxylate32933-03-2 3,4-Epoxycyclohexanecarboxylate methyl ester41088-52-2 Methyl 2-cyclohexanonecarboxylate41302-34-5 1,4-Dioxaspiro[4.5]decan-8-one4746-97-8 Methyl 7-hydroxyhept-5-ynoate50781-91-4

Elsewhere

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