cis-1,4-Dimethylcyclohexane
Properties
- Molecular formula
- C8H16
- Molar mass
- 112.22 g/mol
- Exact mass
- 112.1252 Da
- Density
- 0.7787 g/mL (at 25 °C)
- Melting point
- −87.4 °C
- Boiling point
- 124.4 °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
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
624-29-3SMILES
C[C@H]1CC[C@@H](C)CC1InChIKey
QRMPKOFEUHIBNM-OCAPTIKFNA-NInChI
InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Cyclohexane, 1,4-dimethyl-, cis-
- 1-cis-4-Dimethylcyclohexane
Work with cis-1,4-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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methylcyclopentane96-37-767 % similar
Methylcyclohexane108-87-262 % similar
trans-4-Methylcyclohexylamine2523-55-960 % similar
4-Methylcyclohexanol589-91-360 % similar
4-Methylcyclohexylamine6321-23-960 % similar
cis-4-Methylcyclohexanol7731-28-460 % similar
trans-4-Methylcyclohexanol7731-29-560 % similar
P-Menthane99-82-160 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.