chempirical

Propylcyclohexane

C9H18CAS 1678-92-8126.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H18
Molar mass
126.24 g/mol
Exact mass
126.1409 Da
Density
0.7898 g/mL (at 20 °C)
Melting point
−94.9 °C
Boiling point
156.7 °C
logP
3.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
1678-92-8
SMILES
CCCC1CCCCC1
InChIKey
DEDZSLCZHWTGOR-UHFFFAOYSA-N
InChI
InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Cyclohexane, propyl-
  • n-Propylcyclohexane
  • NSC 44885
  • Prop-3-yl-cyclohexane

Work with Propylcyclohexane

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

Propylcyclopentane2040-96-293 % similar Butylcyclohexane1678-93-976 % similar Pentylcyclohexane4292-92-676 % similar Heptylcyclohexane5617-41-476 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-767 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-162 % similar Ethylcyclohexane1678-91-753 % similar 4-Propylpiperidine22398-09-052 % similar

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

Same formula

1-Nonene124-11-8 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 3,3,5-Trimethylcyclohexane3073-66-3

Elsewhere

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