1,3-Diisopropylcyclohexane

C₁₂H₂₄CAS 7045-70-7168.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₄
Molar mass: 168.32 g/mol
Exact mass: 168.1878 Da
logP: 4.10Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

7045-70-7

SMILES

CC(C)C1CCCC(C1)C(C)C

InChIKey

WDTCMYUFBNCSKK-UHFFFAOYSA-N

InChI

InChI=1S/C12H24/c1-9(2)11-6-5-7-12(8-11)10(3)4/h9-12H,5-8H2,1-4H3

Weigh it out

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

Work with 1,3-Diisopropylcyclohexane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropylcyclohexane696-29-761 % similar P-Menthane99-82-143 % similar exo-Tetrahydrodicyclopentadiene2825-82-340 % similar endo-Tetrahydrodicyclopentadiene2825-83-440 % similar 1,3-Dimethylcyclohexane591-21-940 % similar 3-Ethyl-2-methylpentane609-26-740 % similar 4-Isopropylcyclohexanol4621-04-939 % similar 1,2-Dimethylcyclopentane2452-99-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Dodecene112-41-4 Cyclododecane294-62-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook