OXN

OXTOXYNOL-10

Created: 2001-05-14
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count107
Chiral Atom Count0
Bond Count107
Aromatic Bond Count6
2D diagram of OXN

Chemical Component Summary

NameOXTOXYNOL-10
SynonymsALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL); TRITON X-100
Systematic Name (OpenEye OEToolkits)2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
FormulaC34 H62 O11
Molecular Weight646.849
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILESCACTVS3.341CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
SMILESOpenEye OEToolkits1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILESCACTVS3.341 CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI1.03 InChI=1S/C34H62O11/c1-33(2,3)30-34(4,5)31-6-8-32(9-7-31)45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35/h6-9,35H,10-30H2,1-5H3
InChIKeyInChI1.03 IVKNZCBNXPYYKL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 454541
ChEMBL CHEMBL1235043