dimethyl 2-(5-tert-butyl-2-oxocyclohexyl)-2,3-dicyanobutanedioate
Chemical Structure Depiction of
dimethyl 2-(5-tert-butyl-2-oxocyclohexyl)-2,3-dicyanobutanedioate
dimethyl 2-(5-tert-butyl-2-oxocyclohexyl)-2,3-dicyanobutanedioate
Compound characteristics
| Compound ID: | 8020-6757 |
| Compound Name: | dimethyl 2-(5-tert-butyl-2-oxocyclohexyl)-2,3-dicyanobutanedioate |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C18 H24 N2 O5 |
| Smiles: | CC(C)(C)C1CCC(C(C1)C(C#N)(C(C#N)C(=O)OC)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4546 |
| logD: | 2.4358 |
| logSw: | -1.9417 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.139 |
| InChI Key: | VVYTXKBROITZSS-UHFFFAOYSA-N |