| Phytochemical Name : 2-Methyl-4-heptanone |
| PCNDIDOT0639 |
| Pubchem CID : 69378 |
| Molecular formula: C8H16O |
| Canonical SMILES : CCCC(=O)CC(C)C |
Synonymes : 2-Methyl-4-heptanone|2-Methylheptan-4-one|626-33-5|4-Heptanone, 2-methyl-|Isobutyl propyl ketone|9EPS3PVK5G|EINECS 210-943-1|AI3-28138|ISOBUTYL n-PROPYL KETONE|UNII-9EPS3PVK5G|SCHEMBL104701|DTXSID4060816|AKRJXOYALOGLHQ-UHFFFAOYSA-|LMFA12000100|MFCD00027143|AKOS009159339|CS-0454369|FT-0632637|M0694|T72726 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.330 |
| Log Po/w (XLOGP3) : 2.040 |
| Log Po/w (WLOGP) : 2.400 |
| Log Po/w (MLOGP) : 2.070 |
| Log Po/w (SILICOS-IT) : 2.120 |
| Consensus Log Po/w : 2.190 |