| Phytochemical Name : 4-Methyl-2-hexanone |
| PCNDIDOT0879 |
| Pubchem CID : 7754 |
| Molecular formula: C7H14O |
| Canonical SMILES : CCC(C)CC(=O)C |
Synonymes : 4-METHYL-2-HEXANONE|105-42-0|4-methylhexan-2-one|2-Hexanone, 4-methyl-|3-methyl-5-hexanone|Methyl 2-methylbutyl ketone|91FRP8DB78|NSC 128218|NSC-128218|NSC128218|UNII-91FRP8DB78|SCHEMBL270159|DTXSID60870448|LMFA12000085|MFCD00048654|AKOS011914108|2-Hexanone, 4-methyl- (8CI)(9CI)|AS-57098|BB 0263047|FT-0692539|EN300-1244746|Q24730663 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.080 |
| Log Po/w (XLOGP3) : 1.750 |
| Log Po/w (WLOGP) : 2.010 |
| Log Po/w (MLOGP) : 1.740 |
| Log Po/w (SILICOS-IT) : 1.690 |
| Consensus Log Po/w : 1.850 |