1PE
Summary
| Name: | PENTAETHYLENE GLYCOL |
| Synonyms: | PEG400 |
| Formula: | C10 H22 O6 |
| Formal charge: | 0 |
| Formula weight: | 238.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,6,9,12-tetraoxatetradecane-1,14-diol |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CCO)CCOCCOCCOCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCOCCOCCOCCOCCO |
| SMILES | CACTVS | 3.341 | OCCOCCOCCOCCOCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCO)O |
| 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 |
