XPE
Summary
| Name: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL |
| Synonyms: | DECAETHYLENE GLYCOL |
| Formula: | C20 H42 O11 |
| Formal charge: | 0 |
| Formula weight: | 458.541 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| SMILES | CACTVS | 3.341 | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O |
| InChI | InChI | 1.03 | InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 |
| InChIKey | InChI | 1.03 | DTPCFIHYWYONMD-UHFFFAOYSA-N |
