chempirical

Heptylcyclohexane

C13H26CAS 5617-41-4182.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C13H26
Molar mass
182.35 g/mol
Exact mass
182.2035 Da
Density
0.8124 g/mL (at 20 °C)
Melting point
−30 °C
Boiling point
244 °C
logP
4.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
5617-41-4
SMILES
CCCCCCCC1CCCCC1
InChIKey
MSTLSCNJAHAQNU-UHFFFAOYSA-N
InChI
InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexane, heptyl-
  • Heptane, 1-cyclohexyl-
  • n-Heptylcyclohexane
  • 1-Cyclohexylheptane
  • NSC 102802

Work with Heptylcyclohexane

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

Pentylcyclohexane4292-92-6100 % similar Butylcyclohexane1678-93-988 % similar Butylcyclopentane2040-95-181 % similar Propylcyclohexane1678-92-876 % similar Propylcyclopentane2040-96-271 % similar 2-Hexyl-1-decanol2425-77-667 % similar 7-(Bromomethyl)pentadecane52997-43-067 % similar Octyldodecanol5333-42-667 % similar

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

Same formula

1-Tridecene2437-56-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook