| Phytochemical Name : 3-Methylpentane |
| PCNDIDOT0796 |
| Pubchem CID : 7282 |
| Molecular formula: C6H14 |
| Canonical SMILES : CCC(C)CC |
Synonymes : 3-METHYLPENTANE|96-14-0|Pentane, 3-methyl-|3-Methyl-pentane|Diethylmethylmethane|UNII-XD8O3ML76T|XD8O3ML76T|CHEBI:88373|HSDB 5300|EINECS 202-481-4|NSC 66497|NSC-66497|AI3-28852|3-Methylpentane, analytical standard|3-methylpentan|3-methyl pentane|Methylpentane, 3-|Pentano, 3-metil-|1,2-DIMETHYLBUTENE|3-Methylpentane, >=99%|(C2H5)2CHCH3|CHEMBL357767|DTXSID8052647|NSC66497|MFCD00009342|AKOS015841880|FT-0616168|M0383|Q223107|J-002021 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.320 |
| Log Po/w (XLOGP3) : 3.600 |
| Log Po/w (WLOGP) : 2.440 |
| Log Po/w (MLOGP) : 3.520 |
| Log Po/w (SILICOS-IT) : 1.610 |
| Consensus Log Po/w : 2.700 |