chempirical

Cyclohexaneacetic acid

C8H14O2CAS 5292-21-7142.20 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Density
0.985 g/mL (at 22 °C)
Melting point
33 °C
Boiling point
245 °C
logP
2.04Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
5292-21-7
SMILES
O=C(O)CC1CCCCC1
InChIKey
LJOODBDWMQKMFB-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)

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Names and synonyms

4 names
  • Cyclohexylacetic acid
  • NCI 204816
  • 2-Cyclohexylacetic acid
  • NSC 2159

Work with Cyclohexaneacetic 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

Cyclopentaneacetic acid1123-00-895 % similar Cyclohexanebutanoic acid4441-63-864 % similar Cyclohexanepropanoic acid701-97-364 % similar 3-Piperidineacetic acid74494-52-359 % similar (R)-3-Hydroxytetradecanoic acid28715-21-150 % similar 3-Isobutylglutaric acid75143-89-450 % similar Bicyclo[2.2.1]heptane-2-acetic acid1007-01-848 % similar Cyclohexylacetone103-78-648 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8

Elsewhere

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