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

Structure

InChI Key XGFDHKJUZCCPKQ-UHFFFAOYSA-N
Smiles OCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H40O
Molecular Weight 284.31
AlogP 6.63
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 20.23
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 1454-84-8
NORMAN SUSDAT
PubChem 80281