HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isobutyl 10-(sulfooxy)stearate
Identifiers & Physical Properties
| CAS No. | 67953-35-9 |
|---|---|
| Molecular formula | C22H44O6S |
| Average molar mass | 436.6 g/mol |
| Monoisotopic mass | 436.28586029 g/mol |
| SMILES | CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O |
| InChIKey | FOULFUULGDLAOP-UHFFFAOYSA-N |
| PubChem CID | 106910 |
Chemical & Physical Properties
| XLogP | 7.6 |
|---|---|
| Topological polar surface area | 98.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 21 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 484 |