Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M5JM8KNA8T
EPA CompTox DTXSID10866295

Structure

InChI Key QGIIMMFKVVKYGH-UHFFFAOYSA-N
Smiles COC1CC2CC1C3C=CCC23
InChI
InChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2,4,7-11H,3,5-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16O1
Molecular Weight 164.12
AlogP 2.23
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 53018-24-9
NORMAN SUSDAT
FDA SRS M5JM8KNA8T
PubChem 103719
ChemSpider 93644.0