1,3,5-Trimethylcyclohexane

C₉H₁₈CAS 1839-63-0126.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈
Molar mass: 126.24 g/mol
Exact mass: 126.1409 Da
Density: 0.772 g/mL (at 20 °C)
Boiling point: 137.5 °C
logP: 3.08Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

1839-63-0

SMILES

CC1CC(C)CC(C)C1

InChIKey

ODNRTOSCFYDTKF-UHFFFAOYSA-N

InChI

InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3

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

Names and synonyms

1 names

Cyclohexane, 1,3,5-trimethyl-

Work with 1,3,5-Trimethylcyclohexane

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

3,5-Dimethylcyclohexanol5441-52-160 % similar 1,3-Dimethylcyclohexane591-21-957 % similar 3,5-Dimethylheptane926-82-957 % similar 3,5-Dimethylpiperidine35794-11-753 % similar 1,4-Dimethylcyclohexane589-90-250 % similar cis-1,4-Dimethylcyclohexane624-29-350 % similar 3-Methylpentane96-14-043 % similar Methylcyclopentane96-37-743 % similar

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

Same formula

1-Nonene124-11-8 Propylcyclohexane1678-92-8 (3E)-3-Nonene20063-92-7 Butylcyclopentane2040-95-1 4-Nonene2198-23-4 1,2,4-Trimethylcyclohexane2234-75-5 2,6-Dimethyl-3-heptene2738-18-3 3,3,5-Trimethylcyclohexane3073-66-3

Elsewhere

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