| Phytochemical Name : 3,3,5-Trimethylheptane |
| PCNDIDOT0693 |
| Pubchem CID : 23544 |
| Molecular formula: C10H22 |
| Canonical SMILES : CCC(C)CC(C)(C)CC |
Synonymes : 3,3,5-TRIMETHYLHEPTANE|7154-80-5|Heptane, 3,3,5-trimethyl-|NSC 73981|NSC73981|3,5-Trimethylheptane|Heptane,3,5-trimethyl-|3,3,5-Trimethyl heptane|CHEBI:88584|DTXSID90871185|MFCD00061014|NSC-73981|6-FLUOROBENZO[B]THIENE-2-BORONICACID|FT-0691951|Heptane, 3,3,5-trimethyl- (8CI)(9CI)|Q5555924 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.000 |
| Log Po/w (XLOGP3) : 4.910 |
| Log Po/w (WLOGP) : 3.860 |
| Log Po/w (MLOGP) : 4.820 |
| Log Po/w (SILICOS-IT) : 3.060 |
| Consensus Log Po/w : 3.930 |