Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80182515

Structure

InChI Key HKXBPYQGPDKLHV-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCC(=O)OCCCC
InChI
InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-12-13-14-15-17(18)19-16-6-4-2/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 28267-31-4
NORMAN SUSDAT
PubChem 119910
ChemSpider 107063.0