P6G
HEXAETHYLENE GLYCOL
Created: | 2000-11-29 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 45 |
Chiral Atom Count | 0 |
Bond Count | 44 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | HEXAETHYLENE GLYCOL |
Synonyms | POLYETHYLENE GLYCOL PEG400 |
Systematic Name (OpenEye OEToolkits) | 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
Formula | C12 H26 O7 |
Molecular Weight | 282.331 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(CCO)CCOCCOCCOCCOCCO |
SMILES | CACTVS | 3.370 | OCCOCCOCCOCCOCCOCCO |
SMILES | OpenEye OEToolkits | 1.7.0 | C(COCCOCCOCCOCCOCCO)O |
Canonical SMILES | CACTVS | 3.370 | OCCOCCOCCOCCOCCOCCO |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C(COCCOCCOCCOCCOCCO)O |
InChI | InChI | 1.03 | InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 |
InChIKey | InChI | 1.03 | IIRDTKBZINWQAW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 17472 |
ChEMBL | CHEMBL1235082 |
ChEBI | CHEBI:49793 |