chempirical

4-tert-Butylcyclohexanol

C10H20OCAS 98-52-2156.27 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C10H20O
Molar mass
156.27 g/mol
Exact mass
156.1514 Da
Melting point
82 °C
Boiling point
119–129 °C (at 29 Torr)
logP
2.58Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
98-52-2
SMILES
CC(C)(C)C1CCC(O)CC1
InChIKey
CCOQPGVQAWPUPE-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Cyclohexanol, 4-(1,1-dimethylethyl)-
  • Cyclohexanol, 4-tert-butyl-
  • 4-(1,1-Dimethylethyl)cyclohexanol
  • NSC 404197
  • 4-tert-Butyl-1-cyclohexanol
  • trans-4-t-Butylcyclohexanol
  • cis-4-tert-Butylcyclohexanol

Work with 4-tert-Butylcyclohexanol

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

Hydrogenated bisphenol A80-04-664 % similar 4-(1,1-Dimethylpropyl)cyclohexanol5349-51-954 % similar Cyclopropanol16545-68-950 % similar tert-Butylcyclohexane3178-22-150 % similar 4-tert-Butylcyclohexylamine5400-88-450 % similar 1,4-Cyclohexanediol556-48-950 % similar trans-1,4-Cyclohexanediol6995-79-550 % similar 4-tert-Butylcyclohexanecarboxylic acid5451-55-845 % similar

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

Same formula

2-Ethylhexyl vinyl ether103-44-6 Citronellol106-22-9 (+)-Citronellol1117-61-9 Decanal112-31-2 9-Decen-1-ol13019-22-2 2-tert-Butylcyclohexanol13491-79-7 Menthol1490-04-6 (+)-Menthol15356-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook