Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40866182

Structure

InChI Key KGWCEBVNLVTVQH-UHFFFAOYSA-N
Smiles CC12CCC3(CC1)C(C)(C)CCC4OC34C2
InChI
InChI=1S/C15H24O/c1-12(2)5-4-11-15(16-11)10-13(3)6-8-14(12,15)9-7-13/h11H,4-10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O1
Molecular Weight 220.18
AlogP 3.91
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.53
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 51115-88-9
NORMAN SUSDAT
PubChem 170979
ChemSpider 149478.0