Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 82G34J5T3H
EPA CompTox DTXSID20162295

Structure

InChI Key DPBVJRXPSXTHOL-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCC(=O)OCCC
InChI
InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O2
Molecular Weight 270.26
AlogP 5.64
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 26.3
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 14303-70-9
NORMAN SUSDAT
FDA SRS 82G34J5T3H
PubChem 84338
ChemSpider 76080.0