| Phytochemical Name : 3,3,6-Trimethylhepta-1,5-dien-4-one |
| PCNDIDOT0694 |
| Pubchem CID : 68346 |
| Molecular formula: C10H16O |
| Canonical SMILES : CC(=CC(=O)C(C)(C)C=C)C |
Synonymes : Artemisia ketone|3,3,6-Trimethylhepta-1,5-dien-4-one|546-49-6|Isoartemisia ketone|Artemesia ketone|3,3,6-Trimethyl-1,5-heptadien-4-one|1,5-Heptadien-4-one, 3,3,6-trimethyl-|UNII-0JA03K53PD|3,3,6-trimethyl-hepta-1,5-dien-4-one|0JA03K53PD|EINECS 208-903-3|2,5,5-Trimethyl-2,6-heptadien-4-one|Artemesia|Artemisia keton|Isoartemisiaketon|SCHEMBL3159032|DTXSID60203030|AKOS040768870|3,3,6-Trimethyl-1,5-heptadien-4-one #|Hepta-1,5-dien-4-one, 3,3,6-trimethyl|FT-0691953|Q27236857 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.460 |
| Log Po/w (XLOGP3) : 3.070 |
| Log Po/w (WLOGP) : 2.730 |
| Log Po/w (MLOGP) : 2.490 |
| Log Po/w (SILICOS-IT) : 2.500 |
| Consensus Log Po/w : 2.650 |