| Phytochemical Name : 2-Methyl-3-pentanone |
| PCNDIDOT0638 |
| Pubchem CID : 11265 |
| Molecular formula: C6H12O |
| Canonical SMILES : CCC(=O)C(C)C |
Synonymes : 2-METHYL-3-PENTANONE|565-69-5|2-Methylpentan-3-one|Ethyl isopropyl ketone|3-Pentanone, 2-methyl-|4-Methyl-3-pentanone|Isopropyl ethyl ketone|2-Methyl-3-pentanal|iso-C3H7COC2H5|UNII-0R392X5X26|EINECS 209-288-4|0R392X5X26|2-methyl-pentan-3-one|SCHEMBL43655|2-Methyl-3-pentanone, 97%|DTXSID2073196|CHEBI:89215|MFCD00009314|AKOS009031606|BS-28922|LS-192265|FT-0612954|M1249|EN300-19777|2-Methyl-3-pentanone, purum, >=99.0% (GC)|Q5404456 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.840 |
| Log Po/w (XLOGP3) : 1.460 |
| Log Po/w (WLOGP) : 1.620 |
| Log Po/w (MLOGP) : 1.390 |
| Log Po/w (SILICOS-IT) : 1.260 |
| Consensus Log Po/w : 1.510 |