RWB
dodecaethylene glycol monomethyl ether
Created: | 2020-10-27 |
Last modified: | 2021-11-17 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 90 |
Chiral Atom Count | 0 |
Bond Count | 89 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | dodecaethylene glycol monomethyl ether |
Synonyms | PEG-MME fragment n=12; polyethylene glycol monomethyl ether fragment n=12; PEG 550 MME |
Systematic Name (OpenEye OEToolkits) | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
Formula | C25 H52 O13 |
Molecular Weight | 560.673 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
SMILES | OpenEye OEToolkits | 2.0.7 | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
Canonical SMILES | CACTVS | 3.385 | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
InChI | InChI | 1.03 | InChI=1S/C25H52O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h26H,2-25H2,1H3 |
InChIKey | InChI | 1.03 | PLQZJIIDLZRWBG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 14550548 |