| Phytochemical Name : 3,4-Dimethyl-2-hexanone |
| PCNDIDOT0720 |
| Pubchem CID : 89184 |
| Molecular formula: C8H16O |
| Canonical SMILES : CCC(C)C(C)C(=O)C |
Synonymes : 3,4-Dimethyl-2-hexanone|19550-10-8|2-Hexanone, 3,4-dimethyl-|3,4-dimethylhexan-2-one|NSC 103150|NSC103150|2-Hexanone,4-dimethyl-|3,4-Dimethyl-2-hexanon|3,4-dimethyl-hexan-2-one|SCHEMBL1785218|DTXSID30871301|AKOS014316345|NSC-103150|2-Hexanone, 3,4-dimethyl- (8CI)(9CI)|FT-0691986 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.150 |
| Log Po/w (XLOGP3) : 2.320 |
| Log Po/w (WLOGP) : 2.260 |
| Log Po/w (MLOGP) : 2.070 |
| Log Po/w (SILICOS-IT) : 1.950 |
| Consensus Log Po/w : 2.150 |