| Phytochemical Name : 3-Methylheptane |
| PCNDIDOT0794 |
| Pubchem CID : 11519 |
| Molecular formula: C8H18 |
| Canonical SMILES : CCCCC(C)CC |
Synonymes : 3-METHYLHEPTANE|589-81-1|Heptane, 3-methyl-|2-Ethylhexane|3-methyl-heptane|Z4R1WI6C0R|3-METHYLHEPTANE-D18|3-methyl-heptan|EINECS 209-660-6|NSC 24845|NSC-24845|2-Butylbutane|NSC24845|3-Methyl-(S)-Heptane|3-Methylheptane, 98%|UNII-Z4R1WI6C0R|Heptane, 3-methyl-, (S)-|CHEBI:89985|DTXSID90862250|LMFA11000606|MFCD00027244|AKOS015841882|FT-0616163|M0334|D91318|Q2816006 |
| 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 |