HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Ethylandrost-4-ene-3,17-dione
6-ethylandrost-4-ene-3,17-dione · Androst-4-ene-3,17-dione, 6-ethyl-, (6α)-
Identifiers & Physical Properties
| CAS No. | 156264-67-4 |
|---|---|
| Molecular formula | C21H30O2 |
| Average molar mass | 314.5 g/mol |
| Monoisotopic mass | 314.2245802 g/mol |
| SMILES | CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12 |
| InChIKey | FCLHZVTXXAVKHH-QAXSQSOOSA-N |
| PubChem CID | 190831 |
| ChEMBL | CHEMBL5277446 |
| DTXSID | DTXSID30935417 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 34.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 589 |
| Boiling point | 449.856±45.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.088±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |