3,5-Dimethylcyclohexanol

C₈H₁₆OCAS 5441-52-1128.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆O
Molar mass: 128.21 g/mol
Exact mass: 128.1201 Da
Density: 0.8806 g/mL (at 38.9 °C)
Melting point: 11.6 °C
Boiling point: 187 °C
logP: 1.80Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

5441-52-1

SMILES

CC1CC(C)CC(O)C1

InChIKey

WIYNOPYNRFPWNB-UHFFFAOYSA-N

InChI

InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/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

2 names

Cyclohexanol, 3,5-dimethyl-
NSC 21130

Work with 3,5-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

2,6,8-Trimethyl-4-nonanol123-17-170 % similar 1,3,5-Trimethylcyclohexane1839-63-060 % similar 5-Methyl-3-heptanol18720-65-555 % similar 3-Methylcyclohexanol591-23-155 % similar 2,6-Dimethyl-4-heptanol108-82-753 % similar 1,3,5-Cyclohexanetriol2041-15-850 % similar 4-Methylcyclohexanol589-91-350 % similar cis-4-Methylcyclohexanol7731-28-450 % 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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