| Phytochemical Name : 3,3-Dimethylhexane |
| PCNDIDOT0699 |
| Pubchem CID : 11233 |
| Molecular formula: C8H18 |
| Canonical SMILES : CCCC(C)(C)CC |
Synonymes : 3,3-Dimethylhexane|563-16-6|Hexane, 3,3-dimethyl-|3,3-dimethyl-hexane|5Y25PZR32U|EINECS 209-243-9|NSC 74174|NSC-74174|3,3-DIMETHYL HEXANE|Dimethylhexane, 3,3-|UNII-5Y25PZR32U|DTXSID2073194|CHEBI:132182|NSC74174|MFCD00048729|AKOS024420966|Hexane, 3,3-dimethyl- (8CI)(9CI)|D1227|FT-0702056|T71064|Q2815977 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.660 |
| Log Po/w (XLOGP3) : 4.110 |
| Log Po/w (WLOGP) : 3.220 |
| Log Po/w (MLOGP) : 4.200 |
| Log Po/w (SILICOS-IT) : 2.340 |
| Consensus Log Po/w : 3.310 |