1,1'-dimethyl 4,4'-{(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)-4,1-phenylene]} dibutanedioate
Chemical Structure Depiction of
1,1'-dimethyl 4,4'-{(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)-4,1-phenylene]} dibutanedioate
1,1'-dimethyl 4,4'-{(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)-4,1-phenylene]} dibutanedioate
Compound characteristics
| Compound ID: | Y508-1005 |
| Compound Name: | 1,1'-dimethyl 4,4'-{(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)-4,1-phenylene]} dibutanedioate |
| Molecular Weight: | 658.75 |
| Molecular Formula: | C38 H42 O10 |
| Smiles: | CC(C)c1cc(c(C)cc1OC(CCC(=O)OC)=O)C1(c2cc(C(C)C)c(cc2C)OC(CCC(=O)OC)=O)c2ccccc2C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 7.0217 |
| logD: | 7.0217 |
| logSw: | -5.8073 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 102.19 |
| InChI Key: | SUWTUCAGFWAXSN-UHFFFAOYSA-N |