chempirical

Methylcyclohexane

C7H14CAS 108-87-298.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C7H14
Molar mass
98.19 g/mol
Exact mass
98.1096 Da
Density
0.7694 g/mL (at 20 °C)
Melting point
−126.6 °C
Boiling point
100.9 °C
logP
2.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
108-87-2
SMILES
CC1CCCCC1
InChIKey
UAEPNZWRGJTJPN-UHFFFAOYSA-N
InChI
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Cyclohexane, methyl-
  • Cyclohexylmethane
  • Hexahydrotoluene
  • Toluene hexahydride
  • 1-Methylcyclohexane
  • MCHX
  • NSC 9391
  • Swaclean MCH

Work with Methylcyclohexane

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

Methylcyclopentane96-37-792 % similar Squalane111-01-365 % similar 1,4-Dimethylcyclohexane589-90-262 % similar cis-1,4-Dimethylcyclohexane624-29-362 % similar Pristane1921-70-659 % similar (±)-4-Methylnonane17301-94-958 % similar 1,3-Dimethylcyclohexane591-21-956 % similar 3-Methyloctane2216-33-348 % similar

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

Same formula

Methylcyclohexane-D1410120-28-2 trans-3-Heptene14686-14-7 Ethylcyclopentane1640-89-7 2,4-Dimethyl-1-pentene2213-32-3 1,2-Dimethylcyclopentane2452-99-5 Cycloheptane291-64-5 2,3-Dimethyl-1-pentene3404-72-6 5-Methyl-1-hexene3524-73-0

Elsewhere

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