Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FGV85H8CFJ
EPA CompTox DTXSID6070691

Structure

InChI Key DZWPQZGRFUZEDL-UHFFFAOYSA-N
Smiles CCCOC1CCCCCCCCCCC1
InChI
InChI=1S/C15H30O/c1-2-14-16-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H30O1
Molecular Weight 226.23
AlogP 5.09
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 67845-47-0
NORMAN SUSDAT
FDA SRS FGV85H8CFJ
PubChem 105765
ChemSpider 95325.0