| Phytochemical Name : 2-Methylpentane |
| PCNDIDOT0649 |
| Pubchem CID : 7892 |
| Molecular formula: C6H14 |
| Canonical SMILES : CCCC(C)C |
Synonymes : 2-METHYLPENTANE|Isohexane|107-83-5|Pentane, 2-methyl-|2-Methylpentan|73513-42-5|2-Methyl pentane|1,1-Dimethylbutane|2-Methyl-pentane|64742-49-0|Dimethylpropylmethane|Methyl pentane|Pentane, methyl-|HSDB 1125|SOLVENT DEGREASER|EINECS 203-523-4|NSC 66496|UNII-49IB0U6MLD|49IB0U6MLD|AI3-28851|43133-95-5|DTXSID4029143|CHEBI:88374|NSC-66496|iso-hexane|2-Methylpentane, analytical standard|MFCD02179311|Methylpentane|i-hexane|Mthyl-2 pentane|pentane, 2-methyl|Hexanes [FCC]|MFCD00009406|Pentano, 2-metil-|IHA (CHRIS Code)|2-Methylpentane, 5.0%|KYOWASOL C 600M|KYOWAZOL C 600|2-Methylpentane, >=99%|Hexanes, Environmental Grade|Hexanes, (60% n-hexane)|CHEMBL30909|DTXCID509143|2-METHYLPENTANE [HSDB]|Methylpentane, 2-; (Isohexane)|(CH3)2CH(CH2)2CH3|Methylpentane, 2-; (Isohexane)|NSC66496|Tox21_200470|NA2462|UN2462|WLN: 3Y1 & 1|2-Methylpentane, >=95.0% (GC)|AKOS015907782|NCGC00248641-01|NCGC00258024-01|CAS-107-83-5|LS-101732|FT-0645102|M0382|EC 639-864-4|A801767|Q209445 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.310 |
| Log Po/w (XLOGP3) : 3.180 |
| Log Po/w (WLOGP) : 2.440 |
| Log Po/w (MLOGP) : 3.520 |
| Log Po/w (SILICOS-IT) : 1.610 |
| Consensus Log Po/w : 2.610 |