chempirical

Cyclopentanecarboxylic acid

C6H10O2CAS 3400-45-1114.14 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Density
1.051 g/mL (at 20 °C)
Melting point
−7 °C
Boiling point
212 °C
logP
1.26Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
3400-45-1
SMILES
O=C(O)C1CCCC1
InChIKey
JBDSSBMEKXHSJF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)

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

Names and synonyms

3 names
  • Cyclopentylcarboxylic acid
  • Cyclopentanoic acid
  • NSC 59714

Work with Cyclopentanecarboxylic acid

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

Cycloheptanecarboxylic acid1460-16-894 % similar Cyclohexanecarboxylic acid98-89-594 % similar Cyclobutanecarboxylic acid3721-95-789 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-778 % similar 1,4-Cyclohexanedicarboxylic acid619-81-878 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-978 % similar 1,3-Cyclohexanedicarboxylic acid3971-31-171 % similar 2-Hexyldecanoic acid25354-97-671 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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