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

Structure

InChI Key NPNUFJAVOOONJE-UHFFFAOYSA-N
Smiles CC1=CCCC(=C)C2CC(C)(C)C2CC1
InChI
InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.73
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 10579-93-8
NORMAN SUSDAT