Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HJ2A096Y4T
EPA CompTox DTXSID80194057

Structure

InChI Key PTEYJUIKYIKULL-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/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 41114-00-5
NORMAN SUSDAT
FDA SRS HJ2A096Y4T
PubChem 38762
ChemSpider 35512.0