HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,5-ditert-butyl-1H-indole
2,5-Di-tert-butyl-1H-indole · 1H-Indole, 2,5-bis(1,1-dimethylethyl)-
Identifiers & Physical Properties
| CAS No. | 900640-46-2 |
|---|---|
| Molecular formula | C16H23N |
| Average molar mass | 229.36 g/mol |
| Monoisotopic mass | 229.18304974 g/mol |
| SMILES | CC(C)(C)c1ccc2[nH]c(C(C)(C)C)cc2c1 |
| InChIKey | VUFPVCCYRUVHPZ-UHFFFAOYSA-N |
| PubChem CID | 6991878 |
| DTXSID | DTXSID401289114 |
Chemical & Physical Properties
| XLogP | 5.4 |
|---|---|
| Topological polar surface area | 15.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 268 |