Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50887484

Structure

InChI Key QGLOTHQLJUMRHT-UHFFFAOYSA-N
Smiles O=C(OC)C1CC2C(C(=C)C)=C(C)C1(C)C2
InChI
InChI=1/C14H20O2/c1-8(2)12-9(3)14(4)7-10(12)6-11(14)13(15)16-5/h10-11H,1,6-7H2,2-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20O2
Molecular Weight 220.15
AlogP 3.1
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 68698-57-7
NORMAN SUSDAT
PubChem 111351