1,2-Dimethylcyclohexane

C₈H₁₆CAS 583-57-3112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.8234 g/mL (at 20 °C)
Boiling point: 124 °C
logP: 2.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

583-57-3

SMILES

CC1CCCCC1C

InChIKey

KVZJLSYJROEPSQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

Cyclohexane, 1,2-dimethyl-
o-Dimethylcyclohexane
NSC 43769

Work with 1,2-Dimethylcyclohexane

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

cis-1,2-Dimethylcyclohexane2207-01-4100 % similar trans-1,2-Dimethylcyclohexane6876-23-9100 % similar 1,2-Dimethylcyclopentane2452-99-583 % similar 2-Methylcyclohexanol583-59-556 % similar 2-Methylcyclohexylamine7003-32-956 % similar cis-2-Methylcyclohexanol7443-70-156 % similar 2,6-Dimethylcyclohexanol5337-72-450 % similar 2,7-Dimethyloctane1072-16-847 % similar

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

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 2,4,4-Trimethyl-2-pentene107-40-4 Isooctene11071-47-9 1-Octene111-66-0 2-Octene111-67-1 trans-2-Octene13389-42-9 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8

Elsewhere

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