Keyword(s): Surfactants
Molecule Category Free-form
EPA CompTox DTXSID00885450

Structure

InChI Key ZABKDTYOFYRFCI-UHFFFAOYSA-N
Smiles O=C(OC)C(CCCCCCCCCCCC)S(=O)(=O)O
InChI
InChI=1/C15H30O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14(15(16)20-2)21(17,18)19/h14H,3-13H2,1-2H3,(H,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H30O5S
Molecular Weight 322.18
AlogP 3.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 80.67
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 29454-23-7
NORMAN SUSDAT
PubChem 19924