| Phytochemical Name : 2-Methyl-3-heptanone |
| PCNDIDOT0637 |
| Pubchem CID : 25611 |
| Molecular formula: C8H16O |
| Canonical SMILES : CCCCC(=O)C(C)C |
Synonymes : 2-METHYL-3-HEPTANONE|2-Methylheptan-3-one|13019-20-0|3-Heptanone, 2-methyl-|Butyl isopropyl ketone|2-methyl-heptan-3-one|2-Methylheptanone-(3)|UNII-CH4JHS76WY|CH4JHS76WY|EINECS 235-877-0|NSC 21978|NSC-21978|NSC21978|3-Heptanone,2-methyl-|SCHEMBL102831|2-Methyl-3-heptanone, 98%|2-Methyl-3-heptanone, 99%|DTXSID3073395|FEMA NO. 4000|XYYMFUCZDNNGFS-UHFFFAOYSA-|MFCD00009481|2-METHYLBUTYL ISOPROPYL KETONE|2-METHYLHEPTAN-3-ONE [FHFI]|AKOS009156813|3-Heptanone, 2-methyl- (8CI)(9CI)|CS-0188082|FT-0636773|M0693|D91376|J-005759|Q27275460 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.340 |
| Log Po/w (XLOGP3) : 2.360 |
| Log Po/w (WLOGP) : 2.400 |
| Log Po/w (MLOGP) : 2.070 |
| Log Po/w (SILICOS-IT) : 2.120 |
| Consensus Log Po/w : 2.260 |