| Phytochemical Name : 2,2,4-Trimethyl-1-pentanol |
| PCNDIDOT0474 |
| Pubchem CID : 31258 |
| Molecular formula: C8H18O |
| Canonical SMILES : CC(C)CC(C)(C)CO |
Synonymes : 2,2,4-TRIMETHYL-1-PENTANOL|2,2,4-Trimethylpentan-1-ol|123-44-4|1-Pentanol, 2,2,4-trimethyl-|2,2,4-Trimethylpentanol|1331-40-4|DIISOPROPYL METHYL CARBINOL|2.2.4-TRIMETHYL-1-PENTANOL|EINECS 204-628-8|NSC 35410|BRN 1697386|IX60R7GK8R|AI3-26041|NSC-35410|4-01-00-01795 (Beilstein Handbook Reference)|2,4-Trimethylpentanol|UNII-IX60R7GK8R|2,4-Trimethyl-1-pentanol|1-Pentanol,2,4-trimethyl-|SCHEMBL104641|Pentanol, 2,2,4-trimethyl-|DTXSID6073158|NSC35410|MFCD00021979|AKOS006229221|LS-101910|EN300-1247822|WLN: Q1X1 & 1 & 1Y1 & 1|F8884-2044|3-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONICACID |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.280 |
| Log Po/w (XLOGP3) : 2.420 |
| Log Po/w (WLOGP) : 2.050 |
| Log Po/w (MLOGP) : 2.220 |
| Log Po/w (SILICOS-IT) : 1.650 |
| Consensus Log Po/w : 2.120 |