Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FV88LY2FVL
EPA CompTox DTXSID40234741

Structure

InChI Key JTOLHKRIXOJYBA-ZRDIBKRKSA-N
Smiles CCCCCCOC(=O)/C=C/CCCCC
InChI
InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h10,12H,3-9,11,13H2,1-2H3/b12-10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26O2
Molecular Weight 226.19
AlogP 4.25
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 85554-64-9
NORMAN SUSDAT
FDA SRS FV88LY2FVL
PubChem 5743962
ChemSpider 4675580.0