chempirical

Bicyclohexyl

C12H22CAS 92-51-3166.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H22
Molar mass
166.31 g/mol
Exact mass
166.1722 Da
Density
0.8797 g/mL (at 20 °C)
Melting point
4 °C
Boiling point
238 °C
logP
4.15Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 182 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P301+P316, P331, P391, P405, P501

Identifiers

CAS number
92-51-3
SMILES
C1CCC(C2CCCCC2)CC1
InChIKey
WVIIMZNLDWSIRH-UHFFFAOYSA-N
InChI
InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2

Weigh it out

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

Names and synonyms

8 names
  • 1,1′-Bicyclohexyl
  • Cyclohexane, cyclohexyl-
  • Dicyclohexyl
  • Dodecahydrobiphenyl
  • 1,1′-Biphenyl, dodecahydro-
  • Dicyclohexane
  • Cyclohexylcyclohexane
  • NSC 59855

Work with Bicyclohexyl

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-Decalin493-01-689 % similar trans-Decalin493-02-789 % similar Decalin91-17-889 % similar Isopropylcyclohexane696-29-753 % similar Rel-(3aR,7aS)-Octahydro-1H-isoindole1470-99-147 % similar cis-1,2-Cyclohexanedimethanol15753-50-147 % similar Octahydroisoindole21850-12-447 % similar Rel-(1R,2R)-1,2-Cyclohexanedimethanol25712-33-847 % similar

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

Same formula

Cyclododecene1501-82-2 5-Dodecyne19780-12-2 6-Dodecyne6975-99-1 1-Dodecyne765-03-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia