Keyword(s): Surfactants
Molecule Category Free-form
EPA CompTox DTXSID50574463

Structure

InChI Key JXAGXOHHOAQFIK-UHFFFAOYSA-N
Smiles OCCOCCOCCNCCOCCOCCO
InChI
InChI=1S/C12H27NO6/c14-3-7-18-11-9-16-5-1-13-2-6-17-10-12-19-8-4-15/h13-15H,1-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H27NO6
Molecular Weight 281.18
AlogP -1.37
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 16.0
Polar Surface Area 89.41
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 25743-12-8
NORMAN SUSDAT
PubChem 15568202
ChemSpider 26538229.0