Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40884785

Structure

InChI Key LUYUYAZOPRAIRX-UHFFFAOYSA-N
Smiles CC1=CC2C(CC1CO)C2(C)C
InChI
InChI=1S/C11H18O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h4,8-10,12H,5-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18O1
Molecular Weight 166.14
AlogP 2.22
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 15103-32-9
NORMAN SUSDAT
PubChem 85800
ChemSpider 77389.0