| Phytochemical Name : 2,4-Dimethyl-3-hexanone |
| PCNDIDOT0521 |
| Pubchem CID : 86770 |
| Molecular formula: C8H16O |
| Canonical SMILES : CCC(C)C(=O)C(C)C |
Synonymes : 2,4-Dimethyl-3-hexanone|2,4-dimethylhexan-3-one|18641-70-8|3-Hexanone, 2,4-dimethyl-|2,4-Dimethyl hexanone-3|SCHEMBL269836|DTXSID70940080|AKOS013029676|FT-0637729|EN300-1245331 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.280 |
| Log Po/w (XLOGP3) : 2.390 |
| Log Po/w (WLOGP) : 2.260 |
| Log Po/w (MLOGP) : 2.070 |
| Log Po/w (SILICOS-IT) : 1.950 |
| Consensus Log Po/w : 2.190 |