tert-Butylcyclohexane

C₁₀H₂₀CAS 3178-22-1140.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₀
Molar mass: 140.27 g/mol
Exact mass: 140.1565 Da
Density: 0.8305 g/mL (at 16 °C)
Melting point: −41.2 °C
Boiling point: 171.5 °C
logP: 3.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

3178-22-1

SMILES

CC(C)(C)C1CCCCC1

InChIKey

XTVMZZBLCLWBPM-UHFFFAOYSA-N

InChI

InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

Cyclohexane, (1,1-dimethylethyl)-
Cyclohexane, tert-butyl-
(1,1-Dimethylethyl)cyclohexane
NSC 73719
4-tert-Butylcyclohexane

Work with tert-Butylcyclohexane

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-tert-Butylcyclohexylamine5400-88-450 % similar 4-tert-Butylcyclohexanol98-52-250 % similar 4-tert-Butylcyclohexanone98-53-346 % similar Methylcyclohexane108-87-242 % similar 2-tert-Butylcyclohexanol13491-79-740 % similar 4-tert-Butylcyclohexanecarboxylic acid5451-55-839 % similar trans-4-tert-Butylcyclohexanecarboxylic acid943-29-339 % similar Bis(4-tert-butylcyclohexyl) peroxydicarbonate15520-11-338 % similar

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

Same formula

Butylcyclohexane1678-93-9 Cyclodecane293-96-9 (5E)-5-Decene7433-56-9 Decene872-05-9 P-Menthane99-82-1

Elsewhere

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