2-tert-Butylcyclohexanol

C10H20OCAS 13491-79-7156.27 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C10H20O
Molar mass
156.27 g/mol
Exact mass
156.1514 Da
Melting point
45 °C
logP
2.58Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,595 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
13491-79-7
SMILES
CC(C)(C)C1CCCCC1O
InChIKey
DLTWBMHADAJAAZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • Cyclohexanol, 2-(1,1-dimethylethyl)-
  • Cyclohexanol, 2-tert-butyl-
  • 2-(1,1-Dimethylethyl)cyclohexanol
  • 2-(tert-Butyl)cyclohexan-1-ol

Work with 2-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

trans-1,2-Cyclohexanediol1460-57-748 % similar cis-1,2-Cyclohexanediol1792-81-048 % similar Cyclohexane-1,2-diol931-17-948 % similar 2-Methylcyclohexanol583-59-542 % similar cis-2-Methylcyclohexanol7443-70-142 % similar (1,1'-Bi(cyclohexane))-2,2'-diol17385-36-342 % similar tert-Butylcyclohexane3178-22-140 % similar 1-(2-Hydroxy-1-methyl-ethyl)-7A-methyl-octahydro-inden-4-ol64190-52-938 % 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 Menthol1490-04-6 (+)-Menthol15356-60-2 (±)-Menthol15356-70-4

Elsewhere

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