HuagongsheHuagongshe Chemistry Print Report · For research reference only
Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-3-(2-propenyl)-, (1alpha,2beta,3alpha,5alpha)-
2,6,6-trimethyl-3-prop-2-enyl-norpinane · (1α,2β,3α,5α)-2,6,6-Trimethyl-3-allylbicyclo[3.1.1]heptane · Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-3-(2-propen-1-yl)-, (1R,2S,3R,5R)-rel-
![Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-3-(2-propenyl)-, (1alpha,2beta,3alpha,5alpha)- molecular structure](/img/chemical/39773.png)
Identifiers & Physical Properties
| CAS No. | 50746-55-9 |
|---|---|
| Molecular formula | C13H22 |
| Average molar mass | 178.31 g/mol |
| Monoisotopic mass | 178.1721507 g/mol |
| SMILES | C=CCC1CC2CC(C1C)C2(C)C |
| InChIKey | IKMZOQZLQUAFMZ-UHFFFAOYSA-N |
| PubChem CID | 39773 |
| DTXSID | DTXSID30964984 |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 214 |
| Boiling point | 211.5±7.0 °C(Predicted) |
| Density | 0.837±0.06 g/cm3(Predicted) |