chempirical

Propylcyclopentane

C8H16CAS 2040-96-2112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C8H16
Molar mass
112.22 g/mol
Exact mass
112.1252 Da
Density
0.7736 g/mL (at 20 °C)
Melting point
−117.3 °C
Boiling point
131 °C
logP
2.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
2040-96-2
SMILES
CCCC1CCCC1
InChIKey
KDIAMAVWIJYWHN-UHFFFAOYSA-N
InChI
InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Cyclopentane, propyl-
  • n-Propylcyclopentane
  • NSC 73947
  • 1-Propylcyclopentane

Work with Propylcyclopentane

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

Propylcyclohexane1678-92-893 % similar Butylcyclopentane2040-95-175 % similar Butylcyclohexane1678-93-971 % similar Pentylcyclohexane4292-92-671 % similar Heptylcyclohexane5617-41-471 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-770 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-165 % similar 2-Propylheptanol10042-59-859 % similar

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

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 2,4,4-Trimethyl-2-pentene107-40-4 Isooctene11071-47-9 1-Octene111-66-0 2-Octene111-67-1 trans-2-Octene13389-42-9 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8

Elsewhere

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