Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20886702

Structure

InChI Key WGEIRZDNNHZMRY-UHFFFAOYSA-N
Smiles O1CC(C(=CC1C=C(C)C)C)C
InChI
InChI=1/C11H18O/c1-8(2)5-11-6-9(3)10(4)7-12-11/h5-6,10-11H,7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18O
Molecular Weight 166.14
AlogP 2.93
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 64929-56-2
NORMAN SUSDAT
PubChem 103463