Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3051961

Structure

InChI Key DJYWGTBEZVORGE-UHFFFAOYSA-N
Smiles CC1CCC2C(C)(C)C3CC12CC(O)C3=C
InChI
InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O1
Molecular Weight 220.18
AlogP 3.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 28231-03-0
NORMAN SUSDAT
PubChem 119831
ChemSpider 106991.0