chempirical

trans-1,2-Dimethylcyclohexane

C8H16CAS 6876-23-9112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C8H16
Molar mass
112.22 g/mol
Exact mass
112.1252 Da
Density
0.772 g/mL (at 25 °C)
Melting point
−90 °C
Boiling point
123.5 °C
logP
2.83Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
6876-23-9
SMILES
C[C@H]1CCCC[C@@H]1C
InChIKey
KVZJLSYJROEPSQ-YZYOREDDNA-N
InChI
InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/s2

Weigh it out

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

Names and synonyms

6 names
  • Cyclohexane, 1,2-dimethyl-, (1R,2R)-rel-
  • Cyclohexane, 1,2-dimethyl-, trans-
  • Rel-(1R,2R)-1,2-Dimethylcyclohexane
  • 1,2-trans-Dimethylcyclohexane
  • (±)-trans-1,2-Dimethylcyclohexane
  • NSC 74158

Work with trans-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 1,2-Dimethylcyclohexane583-57-3100 % 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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