Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40938358

Structure

InChI Key MBIPADCEHSKJDQ-UHFFFAOYSA-N
Smiles C1=C2CCC3C(C2(C)C(C)CC1)C3(C)C
InChI
InChI=1/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.42
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 17334-55-3
NORMAN SUSDAT
PubChem 28481