HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,1-Dimethoxyheptane-3,5-dione
Identifiers & Physical Properties
| CAS No. | 40342-55-0 |
|---|---|
| Molecular formula | C9H16O4 |
| Average molar mass | 188.22 g/mol |
| Monoisotopic mass | 188.10485899 g/mol |
| SMILES | CCC(=O)CC(=O)CC(OC)OC |
| InChIKey | FRYPZAZCOMELIZ-UHFFFAOYSA-N |
| PubChem CID | 12371852 |
| DTXSID | DTXSID60494885 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 172 |