chempirical

Methyl cyclopentanecarboxylate

C7H12O2CAS 4630-80-2128.17 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
Density
0.9859 g/mL (at 20 °C)
Melting point
77–78 °C
Boiling point
154–154.5 °C (at 740 Torr)
logP
1.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
4630-80-2
SMILES
COC(=O)C1CCCC1
InChIKey
IIHIJFJSXPDTNO-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-9-7(8)6-4-2-3-5-6/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Cyclopentanecarboxylic acid, methyl ester
  • 1-(Methoxycarbonyl)cyclopentane
  • NSC 87553
  • Cyclopentanoic acid methyl ester

Reactions

Work with Methyl cyclopentanecarboxylate

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 cyclohexanecarboxylate4630-82-495 % similar Methyl cyclopropanecarboxylate2868-37-381 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-281 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-081 % similar Methyl tetrahydropyran-4-carboxylate110238-91-068 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-167 % similar Methyl 4-oxocyclohexanecarboxylate6297-22-965 % similar Methyl 4-hydroxycyclohexanecarboxylate17449-76-263 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook