chempirical

4-Isopropylcyclohexanol

C9H18OCAS 4621-04-9142.24 g/mol

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OH
Alcohol

Properties

Molecular formula
C9H18O
Molar mass
142.24 g/mol
Exact mass
142.1358 Da
Density
0.9209 g/mL (at 15 °C)
Boiling point
102–106 °C (at 12 Torr)
logP
2.19Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
4621-04-9
SMILES
CC(C)C1CCC(O)CC1
InChIKey
DKKRDMLKVSKFMJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3

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Names and synonyms

7 names
  • Cyclohexanol, 4-(1-methylethyl)-
  • Cyclohexanol, 4-isopropyl-
  • 4-(1-Methylethyl)cyclohexanol
  • p-Isopropylcyclohexanol
  • NSC 21123
  • Folrosia
  • Apo patchone

Work with 4-Isopropylcyclohexanol

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

[1,1′-Bicyclohexyl]-4,4′-diol20601-38-161 % similar Cyclopropanol16545-68-953 % similar 1,4-Cyclohexanediol556-48-953 % similar trans-1,4-Cyclohexanediol6995-79-553 % similar 4-Methylcyclohexanol589-91-352 % similar cis-4-Methylcyclohexanol7731-28-452 % similar trans-4-Methylcyclohexanol7731-29-552 % similar P-Menthane99-82-152 % similar

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

Same formula

(Z)-3-Nonen-1-ol10340-23-5 Isobutyl ketone108-83-8 3,3,5-Trimethylcyclohexanol116-02-9 Nonanal124-19-6 1-Nonen-3-ol21964-44-3 trans-2-Nonen-1-ol31502-14-4 4,6-Dimethylhept-1-en-4-ol32189-75-6 cis-6-Nonen-1-ol35854-86-5

Elsewhere

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