| Phytochemical Name : 3-Methyl-1-(3-methylfuran-2-yl)butan-1-one |
| PCNDIDOT0784 |
| Pubchem CID : 521240 |
| Molecular formula: C10H14O2 |
| Canonical SMILES : CC1=C(OC=C1)C(=O)CC(C)C |
Synonymes : Elsholtziaketone|488-05-1|3-methyl-1-(3-methylfuran-2-yl)butan-1-one|Elsholtzia ketone|Elsholtzione|Dihydronaginata ketone|1-Butanone, 3-methyl-1-(3-methyl-2-furanyl)-|SCHEMBL10343330|DTXSID00197606|AKOS015906732|3-Methyl-1-(3-methyl-2-furyl)-1-butanone|3-Methyl-1-(3-methyl-2-furyl)-1-butanone #|3-methyl-1-(3-methyl-furan-2-yl)-butan-1-one|EN300-1236391|Q67879969 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.160 |
| Log Po/w (XLOGP3) : 2.630 |
| Log Po/w (WLOGP) : 2.820 |
| Log Po/w (MLOGP) : 1.130 |
| Log Po/w (SILICOS-IT) : 2.880 |
| Consensus Log Po/w : 2.320 |