Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30208895

Structure

InChI Key MPLLSYWBBPPERF-UHFFFAOYSA-N
Smiles CCCCCCCCCC(=O)OCCCCCCC
InChI
InChI=1S/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/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 60160-17-0
NORMAN SUSDAT
PubChem 108902
ChemSpider 97934.0