Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key RYPKRALMXUUNKS-HWKANZROSA-N
Smiles CCCC=CC
InChI
InChI=1/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12
Molecular Weight 84.09
AlogP 2.36
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 4050-45-7
NORMAN SUSDAT