Keyword(s): Surfactants
Molecule Category Free-form

Structure

InChI Key AAXVJOCHKGSHMR-UHFFFAOYSA-N
Smiles OCCOCCOCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-20-21-24-19-17-22/h22H,2-21H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H44O3
Molecular Weight 344.33
AlogP 5.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 21.0
Polar Surface Area 38.69
Heavy Atoms 24.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 16734771
ChemSpider 20566268.0