Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90865307

Structure

InChI Key VQHLGZRKOZIABH-UHFFFAOYSA-N
Smiles CC1(C)CCC2OC23C(C)(C)C4CCC13C4
InChI
InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O1
Molecular Weight 220.18
AlogP 3.77
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.53
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 67999-56-8
NORMAN SUSDAT
PubChem 107035
ChemSpider 96315.0