Keyword(s): Surfactants
Molecule Category Free-form
EPA CompTox DTXSID20335740

Structure

InChI Key JKGHDEKVMRQWJL-UHFFFAOYSA-N
Smiles OCCOCCOCCCCCCCCC
InChI
InChI=1S/C13H28O3/c1-2-3-4-5-6-7-8-10-15-12-13-16-11-9-14/h14H,2-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H28O3
Molecular Weight 232.2
AlogP 2.76
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 38.69
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 34187-92-3
NORMAN SUSDAT
PubChem 526735
ChemSpider 459153.0