Methyl 2-oxocyclopentanecarboxylate

C7H10O3CAS 10472-24-9142.15 g/mol

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OOO
EsterKetone

Properties

Molecular formula
C7H10O3
Molar mass
142.15 g/mol
Exact mass
142.0630 Da
Density
1.145 g/mL (at 0 °C)
Melting point
123–125 °C
Boiling point
105 °C (at 19 Torr)
logP
0.53Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
10472-24-9
SMILES
COC(=O)C1CCCC1=O
InChIKey
PZBBESSUKAHBHD-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Cyclopentanecarboxylic acid, 2-oxo-, methyl ester
  • 2-Carbomethoxycyclopentanone
  • 2-(Methoxycarbonyl)cyclopentanone
  • Methyl 2-cyclopentanone-1-carboxylate
  • Methyl 2-oxo-1-cyclopentanecarboxylate
  • Cyclopentenone-2-carboxylic acid methyl ester
  • Methyl 2-oxocyclopentacarboxylate
  • 2-Oxocyclopentanecarboxylic acid methyl ester
  • 2-Cyclopentanonecarboxylic acid methyl ester
  • Methyl cyclopentanone-2-carboxylate
  • Methyl 2-oxocyclopentan-1-carboxylate

Work with Methyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-cyclohexanonecarboxylate41302-34-589 % similar Ethyl 2-oxocyclopentanecarboxylate611-10-963 % similar Dimethyl succinylsuccinate6289-46-959 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-856 % similar Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate4160-61-656 % similar 2-Acetylcyclopentanone1670-46-852 % similar Methyl 4-oxopiperidine-3-carboxylate hydrochloride71486-53-851 % similar 1,3-Dimethyl 2-ethylpropanedioate26717-67-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 Ethyl 3-oxopent-4-enoate22418-80-0 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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