2PE

NONAETHYLENE GLYCOL

Created: 1999-07-09
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count0
Bond Count65
Aromatic Bond Count0
2D diagram of 2PE

Chemical Component Summary

NameNONAETHYLENE GLYCOL
Systematic Name (OpenEye OEToolkits)2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
FormulaC18 H38 O10
Molecular Weight414.488
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO
SMILESCACTVS3.341OCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILESOpenEye OEToolkits1.5.0C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
Canonical SMILESCACTVS3.341 OCCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILESOpenEye OEToolkits1.5.0 C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
InChIInChI1.03 InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2
InChIKeyInChI1.03 YZUUTMGDONTGTN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 4867
ChEBI CHEBI:39784