| Phytochemical Name : Neopentane |
| PCNDIDN0039 |
| Pubchem CID : 10041 |
| Molecular formula: C5H12 |
| Canonical SMILES : CC(C)(C)C |
Synonymes : NEOPENTANE|2,2-Dimethylpropane|Tetramethylmethane|463-82-1|Propane, 2,2-dimethyl-|tert-Pentane|1,1,1-Trimethylethane|dimethylpropane|HSDB 110|EINECS 207-343-7|UNII-M863R1J0BP|BRN 1730722|M863R1J0BP|2,2-dimethyl-propane|(CH3)4C|UN2044|CHEBI:30358|4-01-00-00333 (Beilstein Handbook Reference)|dimethylpropan|Tetramethylcarbon|Pediocin 5|NEOPENTANE [MI]|NEOPENTANE [HSDB]|Propano, 2,2-dimetil-|Neo-C5H12|2,2-Dimethylpropane 99%|tert-Butylmethylidyne radical|DTXSID6029179|MFCD00039840|NA2044|AKOS006229057|Dimethylpropane, 2,2-; (Neopentane)|UN 2044|LS-119983|2,2-Dimethylpropane [Propane, 2,2-dimethyl-]|2,2-Dimethylpropane [UN2044] [Flammable gas]|2,2-Dimethylpropane [UN2044] [Flammable gas]|Q422723 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.080 |
| Log Po/w (XLOGP3) : 2.490 |
| Log Po/w (WLOGP) : 2.050 |
| Log Po/w (MLOGP) : 3.140 |
| Log Po/w (SILICOS-IT) : 1.010 |
| Consensus Log Po/w : 2.150 |