HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(Dibutoxymethyl)heptane
Identifiers & Physical Properties
| CAS No. | 5460-40-2 |
|---|---|
| Molecular formula | C16H34O2 |
| Average molar mass | 258.44 g/mol |
| Monoisotopic mass | 258.25588032 g/mol |
| SMILES | CCCCOC(OCCCC)C(CC)CCCC |
| InChIKey | GXWYMXOQFFBFSY-UHFFFAOYSA-N |
| PubChem CID | 228551 |
| DTXSID | DTXSID50281403 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 18.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 13 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 149 |