Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q056X4917J

Structure

InChI Key YDCSFYSJEYSCBP-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCOCCCO
InChI
InChI=1S/C19H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h20H,2-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H40O2
Molecular Weight 300.3
AlogP 5.87
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 29.46
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 9035-85-2
NORMAN SUSDAT
FDA SRS Q056X4917J
PubChem 165753
ChemSpider 145259.0