Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8067369

Structure

InChI Key QJYYMNOTJXIOBP-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H30O2
Molecular Weight 242.22
AlogP 4.86
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 28267-29-0
NORMAN SUSDAT
PubChem 119908
ChemSpider 107061.0