chempirical

Isopropylcyclohexane

C9H18CAS 696-29-7126.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H18
Molar mass
126.24 g/mol
Exact mass
126.1409 Da
Density
0.7974 g/mL (at 20 °C)
Melting point
−89.4 °C
Boiling point
154.8 °C
logP
3.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
696-29-7
SMILES
CC(C)C1CCCCC1
InChIKey
GWESVXSMPKAFAS-UHFFFAOYSA-N
InChI
InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexane, (1-methylethyl)-
  • Cyclohexane, isopropyl-
  • (1-Methylethyl)cyclohexane
  • NSC 73963
  • (Propan-2-yl)cyclohexane

Work with Isopropylcyclohexane

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

Bicyclohexyl92-51-353 % similar P-Menthane99-82-153 % similar 1-Cyclohexylethanol1193-81-348 % similar 4-Isopropylcyclohexanol4621-04-948 % similar (-)-1-Cyclohexylethylamine5913-13-348 % similar cis-Decalin493-01-647 % similar trans-Decalin493-02-747 % similar Decalin91-17-847 % 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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