| Phytochemical Name : 2-tert-Butyltoluene |
| PCNDIDOT0672 |
| Pubchem CID : 33712 |
| Molecular formula: C11H16 |
| Canonical SMILES : CC1=CC=CC=C1C(C)(C)C |
Synonymes : 1-tert-Butyl-2-methylbenzene|2-tert-Butyltoluene|1074-92-6|1-(tert-Butyl)-2-methylbenzene|o-tert-Butyltoluene|Toluene, o-tert-butyl-|Benzene, 1-(1,1-dimethylethyl)-2-methyl-|Benzene, (1,1-dimethylethyl)methyl-|TERT-BUTYLTOLUENE|EZ8LVG9BTU|1-Methyl-2-tert-butylbenzene|(1,1-Dimethylethyl)methylbenzene|NSC-23694|1-(1,1-dimethylethyl)-2-methylbenzene|27138-21-2|1-Tert-butyl-2-methylbenzene;1-(tert-Butyl)-2-methylbenzene|t-butyltoluene|o-t-butyltoluene|2-t-Butyltoluene|tert-butyl toluene|NSC23694|Toluene, tert-butyl-|UNII-EZ8LVG9BTU|1-tert-butyl-2-methyl-benzene|DTXSID7075056|O-METHYL-TERT-BUTYLBENZENE|2-METHYL-TERT-BUTYLBENZENE|BAA07492|Benzene,1-dimethylethyl)-2-methyl-|MFCD00059209|NSC 23694|AKOS022171855|AS-33063|B0966|CS-0205094|FT-0693990 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.520 |
| Log Po/w (XLOGP3) : 3.960 |
| Log Po/w (WLOGP) : 3.290 |
| Log Po/w (MLOGP) : 4.770 |
| Log Po/w (SILICOS-IT) : 3.480 |
| Consensus Log Po/w : 3.600 |