HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(2-Methylpropoxy)-2-[4-[3-(2-methylpropoxy)-6-oxocyclohex-2-en-1-yl]but-2-enyl]cyclohex-3-en-1-one
4-isobutoxy-2-[4-(3-isobutoxy-6-oxo-2-cyclohexen-1-yl)-2-butenyl]-3-cyclohexen-1-one
![4-(2-Methylpropoxy)-2-[4-[3-(2-methylpropoxy)-6-oxocyclohex-2-en-1-yl]but-2-enyl]cyclohex-3-en-1-one molecular structure](/img/chemical/178819874.png)
Identifiers & Physical Properties
| CAS No. | 720672-29-7 |
|---|---|
| Molecular formula | C24H36O4 |
| Average molar mass | 388.5 g/mol |
| SMILES | CC(C)COC1=CC(CC=CCC2C=C(OCC(C)C)CCC2=O)C(=O)CC1 |
| InChIKey | SFDJJZLRMSVNSF-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 10 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 571 |
| Boiling point | 534.149±50.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.042±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |