Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70866731

Structure

InChI Key WGFQFIYJBLNXIF-UHFFFAOYSA-N
Smiles O=COC1CCCCCCCCCCC1
InChI
InChI=1S/C13H24O2/c14-12-15-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24O2
Molecular Weight 212.18
AlogP 3.83
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 59052-82-3
NORMAN SUSDAT
PubChem 100936
ChemSpider 91194.0