HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(Icosyloxy)-5-oxopentanoic acid
Identifiers & Physical Properties
| CAS No. | 68584-37-2 |
|---|---|
| Molecular formula | C25H48O4 |
| Average molar mass | 412.6 g/mol |
| Monoisotopic mass | 412.35526001 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)O |
| InChIKey | UEEAOZRWVNAQMZ-UHFFFAOYSA-N |
| PubChem CID | 110607 |
| DTXSID | DTXSID50988248 |
Chemical & Physical Properties
| XLogP | 9.7 |
|---|---|
| Topological polar surface area | 63.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 24 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 368 |