HuagongsheHuagongshe Chemistry Print Report · For research reference only
Butyl 3-methylhexanoate
Identifiers & Physical Properties
| CAS No. | 213458-34-5 |
|---|---|
| Molecular formula | C11H22O2 |
| Average molar mass | 186.29 g/mol |
| Monoisotopic mass | 186.16197994 g/mol |
| SMILES | CCCCOC(=O)CC(C)CCC |
| InChIKey | GTKBJPASOLCDLM-UHFFFAOYSA-N |
| PubChem CID | 6429068 |
| DTXSID | DTXSID00423896 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 8 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 132 |