Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3H7R344RQA
EPA CompTox DTXSID8059396

Structure

InChI Key XSZLSYXBQSOQJE-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCC(=O)OCCOC
InChI
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20)22-18-17-21-2/h3-18H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H38O3
Molecular Weight 314.28
AlogP 5.66
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 17.0
Polar Surface Area 35.53
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 111-07-9
NORMAN SUSDAT
FDA SRS 3H7R344RQA
PubChem 66973
ChemSpider 60331.0