HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzyl 2-isobutyl-3-(methoxycarbonyl)-propionate
Identifiers & Physical Properties
| Molecular formula | C16H22O4 |
|---|---|
| Average molar mass | 278.34 g/mol |
| Monoisotopic mass | 278.15180918 g/mol |
| SMILES | COC(=O)CC(CC(C)C)C(=O)OCc1ccccc1 |
| InChIKey | AIJWTBCJEORAAK-UHFFFAOYSA-N |
| PubChem CID | 15408557 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 306 |