1,7,7-trimethyl-2-(phenylethynyl)bicyclo[2.2.1]heptan-2-yl benzoate
Chemical Structure Depiction of
1,7,7-trimethyl-2-(phenylethynyl)bicyclo[2.2.1]heptan-2-yl benzoate
1,7,7-trimethyl-2-(phenylethynyl)bicyclo[2.2.1]heptan-2-yl benzoate
Compound characteristics
| Compound ID: | 8013-6643 |
| Compound Name: | 1,7,7-trimethyl-2-(phenylethynyl)bicyclo[2.2.1]heptan-2-yl benzoate |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C25 H26 O2 |
| Smiles: | CC1(C)C2CCC1(C)C(C2)(C#Cc1ccccc1)OC(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.905 |
| logD: | 6.905 |
| logSw: | -5.8808 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.9599 |
| InChI Key: | XDDNUZKIVVPKLM-UHFFFAOYSA-N |