| Phytochemical Name : 3-Methyl-3-buten-2-one |
| PCNDIDOT0789 |
| Pubchem CID : 13143 |
| Molecular formula: C5H8O |
| Canonical SMILES : CC(=C)C(=O)C |
Synonymes : 3-Methyl-3-buten-2-one|814-78-8|3-Methylbut-3-en-2-one|Isopropenyl methyl ketone|METHYL ISOPROPENYL KETONE|3-Buten-2-one, 3-methyl-|Methyl butenone|2-Methyl-1-buten-3-one|Ketone, methyl isopropenyl|Propen-2-yl methyl ketone|3-Methyl-3-butene-2-one|3-Methyl-3-buten-2-on|3-Methylene-2-butanone|2-Methyl-1-butene-3-one|3-Butene-2-one, 3-methyl|CCRIS 5317|HSDB 1164|3-Methyl-3-buten-2-on [German]|EINECS 212-405-1|NSC 24150|UN1246|3-METHYL-3-BUTEN-2-ONE DIMER|BRN 1071241|3-methyl-but-3-en-2-one|UNII-F64867GQVB|F64867GQVB|CH2=C(CH3)C(=O)CH3|NSC-24150|4-01-00-03462 (Beilstein Handbook Reference)|MFCD00059207|3-Methyl-3-buten-2-on (GERMAN)|54789-11-6|methylisopropenylketon|3-Methyl-3-butenone|3-buten-2-ona, 3-metil-|WLN: 1VY1&U1|DTXSID9052557|3- Methyl-3- butene-2- one|CHEBI:88437|NSC24150|Methyl isopropenyl ketone, inhibited|3-Buten-2-one, 3-methyl-, dimer|NA1246|METHYL-3-BUTEN-2-ONE, 3-|3-Methyl-3-buten-2-one, AldrichCPR|AKOS015841085|LS-2910|UN 1246|METHYL ISOPROPENYL KETONE [HSDB]|FT-0657882|M0378|EN300-80664|3-Methyl-3-buten-2-one (stabilized with HQ)|D87596|A840140|3-METHYLBUT-3-EN-2-ONE(STABILIZED WITH HQ)|Q27160306|3- Methyl-3- butene-2- one (methyl isopropenyl ketone)|3-BUTEN,2-ONE,3-METHYL METHYL,ISOPROPENYL,KETONE|3-BUTEN,2-ONE,3-METHYL METHYL,ISOPROPENYL,KETONE|Methyl isopropenyl ketone, inhibited [UN1246] [Flammable liquid]|Methyl isopropenyl ketone, inhibited [UN1246] [Flammable liquid] |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.540 |
| Log Po/w (XLOGP3) : 0.910 |
| Log Po/w (WLOGP) : 1.150 |
| Log Po/w (MLOGP) : 0.900 |
| Log Po/w (SILICOS-IT) : 0.840 |
| Consensus Log Po/w : 1.070 |