ethyl 4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
ethyl 4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3553-1682 |
| Compound Name: | ethyl 4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C23 H24 O7 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3417 |
| logD: | 5.3417 |
| logSw: | -5.4321 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.672 |
| InChI Key: | NMMKIDWMLRPIKN-UHFFFAOYSA-N |