HuagongsheHuagongshe Chemistry Print Report · For research reference only
(S)-(2,2,2-trichloroethyl) 3-hydroxyhexadecanoate
Identifiers & Physical Properties
| Molecular formula | C18H33Cl3O3 |
|---|---|
| Average molar mass | 403.8 g/mol |
| Monoisotopic mass | 402.149528 g/mol |
| SMILES | CCCCCCCCCCCCC[C@H](O)CC(=O)OCC(Cl)(Cl)Cl |
| InChIKey | RREYHMGKKCWKLK-INIZCTEOSA-N |
| PubChem CID | 54281663 |
Chemical & Physical Properties
| XLogP | 8 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 16 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 306 |