Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2U627TBL66
EPA CompTox DTXSID9066592

Structure

InChI Key OYQTUTLMOLEYNR-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCOC(=O)CCCCCCC
InChI
InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h3-19H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H40O2
Molecular Weight 312.3
AlogP 6.81
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 17.0
Polar Surface Area 26.3
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 20292-09-5
NORMAN SUSDAT
FDA SRS 2U627TBL66
PubChem 88472
ChemSpider 79823.0