1PE

PENTAETHYLENE GLYCOL

Created:	1999-07-08
Last modified:	2021-03-01

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1,084 entries where 1PE is found as a standalone ligand6 entries where 1PE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	0

2D diagram of 1PE

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Chemical Component Summary
Name	PENTAETHYLENE GLYCOL
Synonyms	PEG400
Systematic Name (OpenEye OEToolkits)	2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Formula	C₁₀ H₂₂ O₆
Molecular Weight	238.278
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCO)CCOCCOCCOCCO
SMILES	CACTVS	3.341	OCCOCCOCCOCCOCCO
SMILES	OpenEye OEToolkits	1.5.0	C(COCCOCCOCCOCCO)O
Canonical SMILES	CACTVS	3.341	OCCOCCOCCOCCOCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(COCCOCCOCCOCCO)O
InChI	InChI	1.03	InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChIKey	InChI	1.03	JLFNLZLINWHATN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	62551
ChEMBL	CHEMBL1229766
ChEBI	CHEBI:39631

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