| Phytochemical Name : 4-Methoxy-4-methyl-2-pentanone |
| PCNDIDOT0871 |
| Pubchem CID : 7884 |
| Molecular formula: C7H14O2 |
| Canonical SMILES : CC(=O)CC(C)(C)OC |
Synonymes : 4-METHOXY-4-METHYL-2-PENTANONE|107-70-0|4-Methoxy-4-methylpentan-2-one|Pentoxone|Pent-Oxone Solvent|2-Pentanone, 4-methoxy-4-methyl-|4-Methyl-4-methoxy-2-pentanone|ME 6 K|NSC 48083|CCRIS 4840|HSDB 1153|EINECS 203-512-4|UN2293|BRN 1747866|DTXSID2025557|UNII-02RA332R13|NSC-48083|02RA332R13|4-01-00-04024 (Beilstein Handbook Reference)|ME-6K|SCHEMBL557272|DTXCID805557|CHEMBL3185318|4-Methyoxy-4-methylpentan-2-one|2-pentanona, 4-metoxi-4-metil-|2-Pentanone, 4-methyl-4-methoxy|NSC48083|Tox21_300873|LS-441|MFCD00043932|NA2293|AKOS009158340|UN 2293|NCGC00248197-01|NCGC00254777-01|CAS-107-70-0|WLN: 1OX1 & 1 & 1V1|4-Methoxy-4-methyl-2-pentanone, AldrichCPR|FT-0631600|M0652|EN300-36328|4-METHOXY-4-METHYL-2-PENTANONE [HSDB]|Q1812479|W-109394|4-Methoxy-4-methylpentan-2-one [UN2293] [Flammable liquid]|4-Methoxy-4-methylpentan-2-one [UN2293] [Flammable liquid] |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.990 |
| Log Po/w (XLOGP3) : 0.350 |
| Log Po/w (WLOGP) : 1.390 |
| Log Po/w (MLOGP) : 0.810 |
| Log Po/w (SILICOS-IT) : 1.170 |
| Consensus Log Po/w : 1.140 |