cis-1,4-Dimethylcyclohexane

C₈H₁₆CAS 624-29-3112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.7787 g/mL (at 25 °C)
Melting point: −87.4 °C
Boiling point: 124.4 °C
logP: 2.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0
Stereocentres: s, sin SMILES atom order

Identifiers

CAS number

624-29-3

SMILES

C[C@H]1CC[C@@H](C)CC1

InChIKey

QRMPKOFEUHIBNM-OCAPTIKFNA-N

InChI

InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8+

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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

Similar compounds

1,4-Dimethylcyclohexane589-90-2100 % similar 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

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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