HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tetramethyldecynediol
Identifiers & Physical Properties
| CAS No. | 1333-17-1 |
|---|---|
| Molecular formula | C14H26O2 |
| Average molar mass | 226.35 g/mol |
| Monoisotopic mass | 226.19328007 g/mol |
| SMILES | CC(C)C(C)C(C)C(O)C#CC(C)C(C)O |
| InChIKey | WWPTYZFXUOTSDY-UHFFFAOYSA-N |
| PubChem CID | 14913 |
| EC No. | 215-580-2 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 258 |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |