C9H20O6 — CID 59567842
2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol (PubChem CID 59567842) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol.
| Compound Name | 2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol |
|---|---|
| PubChem CID | 59567842 |
| Molecular Formula | C9H20O6 |
| Molecular Weight | 224.25 g/mol |
| Exact Mass | 224.13 |
| IUPAC Name | 2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol |
| SMILES | OCCOCCOCC(CO)OCCO |
| InChI | InChI=1S/C9H20O6/c10-1-3-13-5-6-14-8-9(7-12)15-4-2-11/h9-12H,1-8H2 |
| InChIKey | UDHVUNBMPCVQLY-UHFFFAOYSA-N |
| XLogP | -1.62 |
| TPSA | 88.38 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 15 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 224.25 |
| LogP ≤ 5 | -1.62 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|