chempirical

Ethyl 2-oxocyclopentanecarboxylate

C8H12O3CAS 611-10-9156.18 g/mol

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EsterKetone

Properties

Molecular formula
C8H12O3
Molar mass
156.18 g/mol
Exact mass
156.0786 Da
Density
1.08 g/mL (at 20 °C)
Boiling point
221 °C
logP
0.92Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
611-10-9
SMILES
CCOC(=O)C1CCCC1=O
InChIKey
JHZPNBKZPAWCJD-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3

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Names and synonyms

20 names · show all
  • Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester
  • 2-Carbethoxycyclopentanone
  • Ethyl 2-cyclopentanonecarboxylate
  • 2-Carbethoxy-1-cyclopentanone
  • 2-Cyclopentanonecarboxylic acid ethyl ester
  • α-(Carboethoxy)cyclopentanone
  • 2-(Ethoxycarbonyl)cyclopentanone
  • Ethyl 2-oxo-1-cyclopentanecarboxylate
  • Ethyl 2-cyclopentanone-1-carboxylate
  • Ethyl 1-oxocyclopentane-2-carboxylate
  • 2-Oxocyclopentanecarboxylic acid ethyl ester
  • Ethyl 2-oxocyclopentanoate
  • 2-(Ethoxycarbonyl)-1-cyclopentanone
  • (±)-2-Oxocyclopentanecarboxylic acid ethyl ester
  • Ethyl (±)-2-oxocyclopentanecarboxylate
  • 1-Oxocyclopentane-2-carboxylic acid ethyl ester
  • NSC 22055
  • NSC 5658
  • 2-Oxocyclopentane-1-carboxylic acid ethyl ester
  • Ethyl 2-oxocyclopentylcarboxylate

Reactions

Work with Ethyl 2-oxocyclopentanecarboxylate

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

Ethyl 2-oxocyclohexanecarboxylate1655-07-890 % similar Methyl 2-oxocyclopentanecarboxylate10472-24-963 % similar 1,3-Diethyl 2-butylpropanedioate133-08-463 % similar Diethyl succinylsuccinate787-07-561 % similar Ethyl 3-oxooxane-4-carboxylate388109-26-060 % similar Diethyl (3-chloropropyl)malonate18719-43-259 % similar 4-Oxo-piperidine-3-carboxylic acid ethyl ester67848-59-358 % similar Propylmalonic acid diethyl ester2163-48-656 % 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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