5,5-dimethyl-2-[(2-methylanilino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-[(2-methylanilino)methylidene]cyclohexane-1,3-dione
5,5-dimethyl-2-[(2-methylanilino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4850-0436 |
| Compound Name: | 5,5-dimethyl-2-[(2-methylanilino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 257.33 |
| Molecular Formula: | C16 H19 N O2 |
| Smiles: | Cc1ccccc1NC=C1C(CC(C)(C)CC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6722 |
| logD: | 2.6552 |
| logSw: | -2.7295 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.558 |
| InChI Key: | VGDKRGXGRUZAOV-UHFFFAOYSA-N |