| Phytochemical Name : 1,1,6-Trimethyltetralin |
| PCNDIDOT0316 |
| Pubchem CID : 68057 |
| Molecular formula: C13H18 |
| Canonical SMILES : CC1=CC2=C(C=C1)C(CCC2)(C)C |
Synonymes : 1,1,6-Trimethyltetralin|475-03-6|Ionene|alpha-Ionene|.alpha.-Ionene|1,1,6-Trimethyltetraline|4,4,7-trimethyl-2,3-dihydro-1H-naphthalene|Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-|1,1,6-Trimethyl-1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydro-1,1,6-trimethylnaphthalene|UNII-B2ZN1K7W3Q|B2ZN1K7W3Q|EINECS 207-490-7|NAPHTHALENE,1,2,3,4-TETRAHYDRO-1,1,6-TRIMETHYL-|1,1,6-trimethyl-1,2,3,4-tetrahydro-naphthalene|Naphthalene, 1,2,3,4-tetrahydro-1,6,6-trimethyl-|1,1,6-Trimethyl tetralin|.ALPHA.-IONENE [FHFI]|DTXSID0052120|FEMA NO. 4264|CHEBI:87604|MFCD00049170|AKOS006280707|CS-0265194|FT-0693419|EN300-96891|1,2,3,4-Tetrahydro-1,1,6-trimethyl-naphthalene|Q27159767 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.820 |
| Log Po/w (XLOGP3) : 4.540 |
| Log Po/w (WLOGP) : 3.610 |
| Log Po/w (MLOGP) : 4.930 |
| Log Po/w (SILICOS-IT) : 4.340 |
| Consensus Log Po/w : 4.050 |