Structure

InChI Key LIKMAJRDDDTEIG-UHFFFAOYSA-N
Smiles CCCCC=C
InChI
InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12
Molecular Weight 84.09
AlogP 2.36
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 592-41-6
NORMAN SUSDAT
FDA SRS B38ZZ8C206
PubChem 11597
ChemSpider 11109.0