Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G02H8871NA
EPA CompTox DTXSID40149765

Structure

InChI Key IFOGOHVJHKKYCT-UHFFFAOYSA-N
Smiles CCCCCCOC(=O)CCCCCC
InChI
InChI=1S/C13H26O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H26O2
Molecular Weight 214.19
AlogP 4.08
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 26.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 1119-06-8
NORMAN SUSDAT
FDA SRS G02H8871NA
PubChem 517970
ChemSpider 451920.0