1,1-Dimethylcyclohexane

C₈H₁₆CAS 590-66-9112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.783 g/mL (at 15 °C)
Melting point: −33.3 °C
Boiling point: 119.6 °C
logP: 2.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

590-66-9

SMILES

CC1(C)CCCCC1

InChIKey

QEGNUYASOUJEHD-UHFFFAOYSA-N

InChI

InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

Cyclohexane, 1,1-dimethyl-
Gem-Dimethylcyclohexane
NSC 74156

Work with 1,1-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

4,4-Dimethyl heptane1068-19-547 % similar 3,3-Dimethylpiperidine1193-12-043 % similar 3,3-Dimethylheptane4032-86-443 % similar 1-Methylcyclohexanol590-67-042 % similar 1,1,4-Trimethylcyclohexane7094-27-140 % similar 3,3,5-Trimethylcyclohexane3073-66-339 % similar 3,3-Dimethylcyclohexanone2979-19-338 % similar 1-Methylcyclopentanol1462-03-937 % 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

PubChem CAS Common Chemistry NIST WebBook