| Phytochemical Name : Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl- |
| PCNDIDB0104 |
| Pubchem CID : 590286 |
| Molecular formula: C12H18 |
| Canonical SMILES : CC1=CC2CCC1(C(=C2C)C)C |
Synonymes : Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl-|62338-43-6|1,2,3,6-Tetramethylbicyclo[2.2.2]octa-2,5-diene|DTXSID20343527|1,2,3,6-tetramethyl-bicyclo[2.2.2]octa-2,5-diene|1,2,3,6-Tetramethylbicyclo[2.2.2]octa-2,5-diene # |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.840 |
| Log Po/w (XLOGP3) : 2.900 |
| Log Po/w (WLOGP) : 3.700 |
| Log Po/w (MLOGP) : 3.840 |
| Log Po/w (SILICOS-IT) : 3.500 |
| Consensus Log Po/w : 3.360 |