chempirical

4-(1-Methylethyl)cyclohexanecarboxylic acid

C10H18O2CAS 62067-45-2170.25 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
Melting point
94 °C
Boiling point
133 °C (at 2.5 Torr)
logP
2.53Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
62067-45-2
SMILES
CC(C)C1CCC(C(=O)O)CC1
InChIKey
YRQKWRUZZCBSIG-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

4 names
  • Cyclohexanecarboxylic acid, 4-(1-methylethyl)-
  • Cyclohexanecarboxylic acid, 4-isopropyl-
  • 4-Isopropylcyclohexanecarboxylic acid
  • NSC 28951

Work with 4-(1-Methylethyl)cyclohexanecarboxylic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-4-(1-Methylethyl)cyclohexanecarboxylic acid7077-05-6100 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-765 % similar 1,4-Cyclohexanedicarboxylic acid619-81-865 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-965 % similar trans-4-Methylcyclohexanecarboxylic acid13064-83-063 % similar 4-Methylcyclohexanecarboxylic acid4331-54-863 % similar (Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-carboxylic acid84976-67-058 % similar (Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-056 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Linalool oxide1365-19-1 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8

Elsewhere

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