1,1,4-Trimethylcyclohexane

C₉H₁₈CAS 7094-27-1126.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈
Molar mass: 126.24 g/mol
Exact mass: 126.1409 Da
Density: 0.7722 g/mL (at 20 °C)
Boiling point: 134.2–134.9 °C
logP: 3.22Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

7094-27-1

SMILES

CC1CCC(C)(C)CC1

InChIKey

UIWORXHEVNIOJG-UHFFFAOYSA-N

InChI

InChI=1S/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3

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

Names and synonyms

1 names

Cyclohexane, 1,1,4-trimethyl-

Work with 1,1,4-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

3,3,5-Trimethylcyclohexane3073-66-350 % similar 1,4-Dimethylcyclohexane589-90-247 % similar cis-1,4-Dimethylcyclohexane624-29-347 % similar Methylcyclopentane96-37-742 % similar Methylcyclohexane108-87-240 % similar 1,1-Dimethylcyclohexane590-66-940 % similar Dihydro-α-terpineol498-81-738 % similar 4,4-Dimethyl heptane1068-19-538 % similar

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

Same formula

1-Nonene124-11-8 Propylcyclohexane1678-92-8 1,3,5-Trimethylcyclohexane1839-63-0 (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

Elsewhere

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