HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl linoleate hydroperoxide
methyl 13-hydroperoxy-9,11-octadecadienoate · 9,11-Octadecadienoic acid, 13-hydroperoxy-, methyl ester, (9Z,11E)-
Identifiers & Physical Properties
| CAS No. | 11068-03-4 |
|---|---|
| Molecular formula | C19H34O4 |
| Average molar mass | 326.5 g/mol |
| Monoisotopic mass | 326.24570956 g/mol |
| SMILES | CCCCCC(/C=C/C=C\CCCCCCCC(=O)OC)OO |
| InChIKey | WWBBEXJQOOTEIL-GDVMHIJESA-N |
| PubChem CID | 5284420 |
| DTXSID | DTXSID901364761 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 55.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 16 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 323 |
| Boiling point | 443.4±38.0 °C(Predicted) |
| Density | 0.968±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.37±0.10(Predicted) |
| FDA UNII | 13W9041KWU |