chempirical

Butylcyclopentane

C9H18CAS 2040-95-1126.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H18
Molar mass
126.24 g/mol
Exact mass
126.1409 Da
Density
0.7887 g/mL (at 14.95 °C)
Melting point
−108 °C
Boiling point
156.6 °C
logP
3.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
2040-95-1
SMILES
CCCCC1CCCC1
InChIKey
ZAGHKONXGGSVDV-UHFFFAOYSA-N
InChI
InChI=1S/C9H18/c1-2-3-6-9-7-4-5-8-9/h9H,2-8H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • Cyclopentane, butyl-
  • NSC 74179

Work with Butylcyclopentane

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

Butylcyclohexane1678-93-993 % similar Pentylcyclohexane4292-92-681 % similar Heptylcyclohexane5617-41-481 % similar Propylcyclopentane2040-96-275 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-165 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-762 % similar Di(2-ethylhexyl)ether10143-60-957 % similar 2-Hexyl-1-decanol2425-77-655 % 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 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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