Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O2H463RING
EPA CompTox DTXSID8061923

Structure

InChI Key JNDDPBOKWCBQSM-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28O2
Molecular Weight 228.21
AlogP 4.47
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 1731-88-0
NORMAN SUSDAT
FDA SRS O2H463RING
PubChem 15608
ChemSpider 14848.0