TOE

2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL

Created:	1999-07-08
Last modified:	2012-01-25

Find Related PDB Entry
38 entries where TOE 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	27
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	0

2D diagram of TOE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL
Systematic Name (OpenEye OEToolkits)	2-[2-(2-methoxyethoxy)ethoxy]ethanol
Formula	C₇ H₁₆ O₄
Molecular Weight	164.2
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCCOCCOCCOC
SMILES	CACTVS	3.370	COCCOCCOCCO
SMILES	OpenEye OEToolkits	1.7.6	COCCOCCOCCO
Canonical SMILES	CACTVS	3.370	COCCOCCOCCO
Canonical SMILES	OpenEye OEToolkits	1.7.6	COCCOCCOCCO
InChI	InChI	1.03	InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
InChIKey	InChI	1.03	JLGLQAWTXXGVEM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8178
ChEMBL	CHEMBL1794613
ChEBI	CHEBI:84233

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.