3-Methylcyclohexanol

C₇H₁₄OCAS 591-23-1114.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₄O
Molar mass: 114.19 g/mol
Exact mass: 114.1045 Da
Density: 0.92 g/mL
Melting point: 36–37 °C
Boiling point: 174 °C
logP: 1.56Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

591-23-1

SMILES

CC1CCCC(O)C1

InChIKey

HTSABYAWKQAHBT-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3

Weigh it out

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

Names and synonyms

3 names

Cyclohexanol, 3-methyl-
3-Methyl-1-cyclohexanol
NSC 123022

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Cyclohexanediol504-01-860 % similar 1,3-Dimethylcyclohexane591-21-960 % similar 3,5-Dimethylcyclohexanol5441-52-155 % similar Cyclobutanol2919-23-550 % similar 4-Methylcyclohexanol589-91-348 % similar cis-4-Methylcyclohexanol7731-28-448 % similar trans-4-Methylcyclohexanol7731-29-548 % similar 2,6,8-Trimethyl-4-nonanol123-17-146 % similar

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

Same formula

Cyclohexylmethanol100-49-2 3-Heptanone106-35-4 5-Methyl-2-hexanone110-12-3 2-Heptanone110-43-0 Heptanal111-71-7 4-Heptanone123-19-3 2,3-Dimethylpentanal32749-94-3 trans-2-Hepten-1-ol33467-76-4

Elsewhere

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