Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6052087

Structure

InChI Key AVJUDQZBROVIIP-UHFFFAOYSA-N
Smiles CC1OC12CC3CC2C4CC=C(C)CC34
InChI
InChI=1S/C14H20O/c1-8-3-4-11-12(5-8)10-6-13(11)14(7-10)9(2)15-14/h3,9-13H,4-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20O1
Molecular Weight 204.15
AlogP 3.16
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.53
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 41723-98-2
NORMAN SUSDAT
PubChem 94521
ChemSpider 85297.0