Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KXL8T26JYS
EPA CompTox DTXSID50202310

Structure

InChI Key WTJKUFMLQFLJOT-UHFFFAOYSA-N
Smiles CCCCCCCCC(=O)CCCCCCCC
InChI
InChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O1
Molecular Weight 254.26
AlogP 6.06
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 17.07
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 540-08-9
NORMAN SUSDAT
FDA SRS KXL8T26JYS
PubChem 10887
ChemSpider 10425.0