PE3

3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL

Created:	2004-11-04
Last modified:	2020-06-05

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55 entries where PE3 is found as a standalone ligand1 entries where PE3 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	101
Chiral Atom Count	0
Bond Count	100
Aromatic Bond Count	0

2D diagram of PE3

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Chemical Component Summary
Name	3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL
Synonyms	POLYETHYLENE GLYCOL
Systematic Name (OpenEye OEToolkits)	2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula	C₂₈ H₅₈ O₁₅
Molecular Weight	634.751
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCOCCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
SMILES	CACTVS	3.341	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES	OpenEye OEToolkits	1.5.0	C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
Canonical SMILES	CACTVS	3.341	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI	InChI	1.03	InChI=1S/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h29-30H,1-28H2
InChIKey	InChI	1.03	ILLKMACMBHTSHP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	656926
ChEBI	CHEBI:44791

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