2,2'-{(5-tert-butyl-2-oxocyclohexane-1,3-diylidene)bis[methanylylidene(2-methoxy-4,1-phenylene)oxy]}diacetic acid
Chemical Structure Depiction of
2,2'-{(5-tert-butyl-2-oxocyclohexane-1,3-diylidene)bis[methanylylidene(2-methoxy-4,1-phenylene)oxy]}diacetic acid
2,2'-{(5-tert-butyl-2-oxocyclohexane-1,3-diylidene)bis[methanylylidene(2-methoxy-4,1-phenylene)oxy]}diacetic acid
Compound characteristics
| Compound ID: | 6049-2700 |
| Compound Name: | 2,2'-{(5-tert-butyl-2-oxocyclohexane-1,3-diylidene)bis[methanylylidene(2-methoxy-4,1-phenylene)oxy]}diacetic acid |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C30 H34 O9 |
| Smiles: | CC(C)(C)C1C/C(=C\c2ccc(c(c2)OC)OCC(O)=O)C(C(\C1)=C\c1ccc(c(c1)OC)OCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7351 |
| logD: | 0.4981 |
| logSw: | -4.5581 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.234 |
| InChI Key: | URVNYTCPFUASRZ-UHFFFAOYSA-N |