Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10241386

Structure

InChI Key UKUZOKUATMVQAC-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC
InChI
InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(26)28-24-23-27-2/h3-24H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H50O3
Molecular Weight 398.38
AlogP 8.0
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 23.0
Polar Surface Area 35.53
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 94278-13-4
NORMAN SUSDAT
PubChem 3024234
ChemSpider 2290210.0