Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5052412

Structure

InChI Key JDJZAKLOMAHING-UHFFFAOYSA-N
Smiles C1COC2(C1)CC3CC2C4CCCC34
InChI
InChI=1S/C13H20O/c1-3-10-9-7-12(11(10)4-1)13(8-9)5-2-6-14-13/h9-12H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20O1
Molecular Weight 192.15
AlogP 2.99
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 68480-11-5
NORMAN SUSDAT
PubChem 109415
ChemSpider 98370.0