2,6-Bis(1,1-dimethylethyl)-4-methylcyclohexanol

C₁₅H₃₀OCAS 163119-16-2226.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₃₀O
Molar mass: 226.40 g/mol
Exact mass: 226.2297 Da
Boiling point: 135–140 °C (at 14 Torr)
logP: 4.10Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

163119-16-2

SMILES

CC1CC(C(C)(C)C)C(O)C(C(C)(C)C)C1

InChIKey

OIXQKWDQCODZGF-UHFFFAOYSA-N

InChI

InChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3

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Names and synonyms

5 names

Cyclohexanol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
2,6-Di-tert-butyl-4-methylcyclohexanol
2,6-Di-tert-butyl-4-methylcyclohexan-1-ol
2,6-Ditert-butyl-4-methylcyclohexan-1-ol
2,6-Bis-tert-butyl-4-methylcyclohexanol

Work with 2,6-Bis(1,1-dimethylethyl)-4-methylcyclohexanol

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

3,5-Dimethylcyclohexanol5441-52-138 % similar 2-tert-Butylcyclohexanol13491-79-737 % similar 1,3,5-Trimethylcyclohexane1839-63-036 % similar Pinacolyl alcohol464-07-335 % similar 3,3,5-Trimethylcyclohexanol116-02-934 % similar P-Menthane-3,8-diol42822-86-634 % similar 2,6,8-Trimethyl-4-nonanol123-17-133 % similar 3-Methylcyclohexanol591-23-133 % similar

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

Same formula

2-Pentadecanone2345-28-0 Diheptyl ketone818-23-5

Elsewhere

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