PE4

2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL

Created:	2003-08-18
Last modified:	2020-06-05

Find Related PDB Entry
165 entries where PE4 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	0

2D diagram of PE4

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL
Synonyms	POLYETHYLENE GLYCOL PEG4000
Systematic Name (OpenEye OEToolkits)	2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula	C₁₆ H₃₄ O₈
Molecular Weight	354.436
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCOCCO)CCOCCOCCOCCOCCOCC
SMILES	CACTVS	3.341	CCOCCOCCOCCOCCOCCOCCOCCO
SMILES	OpenEye OEToolkits	1.5.0	CCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES	CACTVS	3.341	CCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOCCOCCOCCOCCOCCOCCOCCO
InChI	InChI	1.03	InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3
InChIKey	InChI	1.03	PJWQOENWHPEPKI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	448032

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.