Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20339844

Structure

InChI Key WFNGXXFOYRNZIV-UHFFFAOYSA-N
Smiles CCCC1CCC(CC1)C1CCC(CC1)OCC
InChI
InChI=1S/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3/t14-,15-,16-,17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H32O1
Molecular Weight 252.25
AlogP 5.19
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 9.23
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 95756-62-0
NORMAN SUSDAT
PubChem 559130
ChemSpider 486055.0