| Phytochemical Name : (1,1-Dimethylbutyl)benzene |
| PCNDIDOT0066 |
| Pubchem CID : 16136 |
| Molecular formula: C12H18 |
| Canonical SMILES : CCCC(C)(C)C1=CC=CC=C1 |
Synonymes : (1,1-DIMETHYLBUTYL)BENZENE|1985-57-5|2-methylpentan-2-ylbenzene|Benzene, (1,1-dimethylbutyl)-|2-Methyl-2-phenylpentane|UPT9GM62YT|NSC-245057|NSC245057|1,1-Dimethylbutylbenzene|UNII-UPT9GM62YT|Benzene,1-dimethylbutyl)-|C(C)(C)(CCC)c1ccccc1|DTXSID10173597|NSC 245057 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.800 |
| Log Po/w (XLOGP3) : 5.190 |
| Log Po/w (WLOGP) : 3.760 |
| Log Po/w (MLOGP) : 5.050 |
| Log Po/w (SILICOS-IT) : 3.710 |
| Consensus Log Po/w : 4.100 |