| Phytochemical Name : 2,3,5-Trimethylhexane |
| PCNDIDOT0491 |
| Pubchem CID : 14045 |
| Molecular formula: C9H20 |
| Canonical SMILES : CC(C)CC(C)C(C)C |
Synonymes : 2,3,5-TRIMETHYLHEXANE|1069-53-0|Hexane, 2,3,5-trimethyl-|Hexane,2,3,5-trimethyl-|EINECS 213-957-6|2,3,5-trimethyl-hexane|DTXSID70870833|CHEBI:141559|AKOS006271489|FT-0732512|Q5651194 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.850 |
| Log Po/w (XLOGP3) : 4.220 |
| Log Po/w (WLOGP) : 3.320 |
| Log Po/w (MLOGP) : 4.520 |
| Log Po/w (SILICOS-IT) : 2.600 |
| Consensus Log Po/w : 3.500 |