| Phytochemical Name : 3-Methylhexane |
| PCNDIDOT0795 |
| Pubchem CID : 11507 |
| Molecular formula: C7H16 |
| Canonical SMILES : CCCC(C)CC |
Synonymes : 3-METHYLHEXANE|589-34-4|Hexane, 3-methyl-|2-Ethylpentane|UNII-1J3ZK6L6VY|1J3ZK6L6VY|DTXSID3044334|EINECS 209-643-3|NSC 73937|NSC-73937|3-methyl hexane|3-Methyl-hexane|NSC73937|Hexano, 3-metil-|3-Methylhexane, 99%|(S)-(+)-3-methylhexane|CHEMBL31377|Hexane, 3-methyl-, (S)-|DTXCID308974|(+/-)-3-METHYLHEXANE|CHEBI:143848|Tox21_202850|MFCD00009408|AKOS015841881|NCGC00260396-01|CAS-589-34-4|3-Methylhexane, purum, >=98.0% (GC)|FT-0616164|M0340|D91320|Q223103|70024-92-9 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.550 |
| Log Po/w (XLOGP3) : 3.720 |
| Log Po/w (WLOGP) : 2.830 |
| Log Po/w (MLOGP) : 3.870 |
| Log Po/w (SILICOS-IT) : 2.050 |
| Consensus Log Po/w : 3.000 |