| Phytochemical Name : 2,2-Dimethylbutane |
| PCNDIDOT0477 |
| Pubchem CID : 6403 |
| Molecular formula: C6H14 |
| Canonical SMILES : CCC(C)(C)C |
Synonymes : 2,2-DIMETHYLBUTANE|Neohexane|75-83-2|Butane, 2,2-dimethyl-|HSDB 75|CCRIS 6019|2,2-Dimethyl-butane|EINECS 200-906-8|NSC 74126|UNII-07L56L3MP2|AI3-16043|DTXSID4025111|07L56L3MP2|NSC-74126|2,2-dimethylbutan|Butane,2-dimethyl-|NHX (CHRIS Code)|Butano, 2,2-dimetil-|Dimethyl butane, 2,2-|2,2-Dimethylbutane, 99%|(CH3)3CCH2CH3|DIMETHYLBUTANE, 2,2-|CHEMBL142735|DTXCID405111|C6H14|2,2-DIMETHYLBUTANE [HSDB]|NSC74126|Tox21_200358|MFCD00009321|WLN: 2X1&1&1|AKOS024438081|LS-1676|2,2-Dimethylbutane, analytical standard|CAS-75-83-2|NCGC00091659-01|NCGC00091659-02|NCGC00257912-01|2,2-Dimethylbutane, >=99.0% (GC)|D0689|D-3215|D89700|Q209136 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.250 |
| Log Po/w (XLOGP3) : 3.820 |
| Log Po/w (WLOGP) : 2.440 |
| Log Po/w (MLOGP) : 3.520 |
| Log Po/w (SILICOS-IT) : 1.460 |
| Consensus Log Po/w : 2.700 |