| Phytochemical Name : 2-Methylheptane |
| PCNDIDOT0645 |
| Pubchem CID : 11594 |
| Molecular formula: C8H18 |
| Canonical SMILES : CCCCCC(C)C |
Synonymes : 2-METHYLHEPTANE|592-27-8|Heptane, 2-methyl-|2-methyl-heptane|Methylheptane|Hexane, dimethyl-|DIMETHYLHEXANE|YU6SU8CCVB|EINECS 209-747-9|NSC 24844|NSC-24844|26635-64-3|28777-67-5|NSC24844|Methylheptane, 2-|MFCD00009518|UNII-YU6SU8CCVB|2-Methylheptane, 98%|DTXSID2060460|CHEBI:88849|(CH3)2CH(CH2)4CH3|EINECS 247-861-0|LMFA11000604|AKOS015841664|FT-0613048|M0519|D91346|Q2493733 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.780 |
| Log Po/w (XLOGP3) : 4.260 |
| Log Po/w (WLOGP) : 3.220 |
| Log Po/w (MLOGP) : 4.200 |
| Log Po/w (SILICOS-IT) : 2.500 |
| Consensus Log Po/w : 3.390 |