Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V7OJ57RW7F
EPA CompTox DTXSID30240891

Structure

InChI Key IZOUGMYSRZLQHB-UHFFFAOYSA-N
Smiles CCCCCCCCCCOC(=O)CCCCCC
InChI
InChI=1S/C17H34O2/c1-3-5-7-9-10-11-12-14-16-19-17(18)15-13-8-6-4-2/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 94160-12-0
NORMAN SUSDAT
FDA SRS V7OJ57RW7F
PubChem 3023887
ChemSpider 2289944.0