| Phytochemical Name : 2-Methylhexane |
| PCNDIDOT0646 |
| Pubchem CID : 11582 |
| Molecular formula: C7H16 |
| Canonical SMILES : CCCCC(C)C |
Synonymes : 2-METHYLHEXANE|591-76-4|Hexane, 2-methyl-|ISOHEPTANE|Isobepane|31394-54-4|D 726|EINECS 209-730-6|NSC 24840|UNII-YI4679P2SP|YI4679P2SP|EINECS 250-610-8|NSC-24840|EC 250-610-8|Pentane, dimethyl-|2-methyl hexane|2-methyl-hexane|Hexano, 2-metil-|2-Methylhexane, 99%|CHEMBL1797267|DTXSID5052256|NSC24840|MFCD00009487|AKOS015841662|38815-29-1|LS-75137|FT-0613049|M0231|D91294|Q183300 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.580 |
| 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 : 3.010 |