2,6-Dimethylcyclohexanol

C₈H₁₆OCAS 5337-72-4128.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆O
Molar mass: 128.21 g/mol
Exact mass: 128.1201 Da
Density: 0.9231 g/mL (at 20 °C)
Melting point: 32.5 °C
Boiling point: 176 °C
logP: 1.80Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

5337-72-4

SMILES

CC1CCCC(C)C1O

InChIKey

MOISVRZIQDQVPF-UHFFFAOYSA-N

InChI

InChI=1S/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3

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

Names and synonyms

4 names

Cyclohexanol, 2,6-dimethyl-
2,6-Dimethyl-1-cyclohexanol
NSC 821
2,6-Dimethylcyclohexyl alcohol

Work with 2,6-Dimethylcyclohexanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dimethylcyclopentane2452-99-559 % similar cis-1,2-Dimethylcyclohexane2207-01-450 % similar 1,2-Dimethylcyclohexane583-57-350 % similar 2-Methylcyclohexanol583-59-550 % similar trans-1,2-Dimethylcyclohexane6876-23-950 % similar cis-2-Methylcyclohexanol7443-70-150 % similar 2,4-Dimethyl-3-heptanol19549-72-548 % similar 2-Methylcyclohexylamine7003-32-938 % similar

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

Same formula

3-Octanone106-68-3 2-Octanone111-13-7 1-Cyclohexylethanol1193-81-3 2-Ethylhexanal123-05-7 Octanal124-13-0 2-Methyl-3-heptanone13019-20-0 2,2,5,5-Tetramethyltetrahydrofuran15045-43-9 (E)-2-Octen-1-ol18409-17-1

Elsewhere

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