Keyword(s): Surfactants
Molecule Category Free-form

Structure

InChI Key BEFCFHXWGFFZJM-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCO)C)C
InChI
InChI=1S/C27H56O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-31-24-26(2)33-25-27(3)32-23-22-30-21-20-29-19-17-28/h26-28H,4-25H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H56O6
Molecular Weight 476.41
AlogP 5.93
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 28.0
Polar Surface Area 66.38
Heavy Atoms 33.0

Cross References

Resources Reference
NORMAN SUSDAT