Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70885321

Structure

InChI Key LFWRAJWJODKLTN-UHFFFAOYSA-N
Smiles CC1C2CC23C(C)(C)CCCC3(C)CC1=O
InChI
InChI=1S/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O1
Molecular Weight 220.18
AlogP 3.82
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 25966-79-4
NORMAN SUSDAT
PubChem 117288
ChemSpider 104813.0