Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7074402

Structure

InChI Key VJRVVBJENDJBLJ-UHFFFAOYSA-N
Smiles C1COC2=C(C1)CCCCCCCCCC2
InChI
InChI=1S/C15H26O/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O1
Molecular Weight 222.2
AlogP 4.97
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 32539-83-6
NORMAN SUSDAT
PubChem 99563
ChemSpider 89949.0