5,5-dimethyl-2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione
5,5-dimethyl-2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | Y010-1823 |
| Compound Name: | 5,5-dimethyl-2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione |
| Molecular Weight: | 311.42 |
| Molecular Formula: | C20 H25 N O2 |
| Smiles: | Cc1cccc2C(=C3C(CC(C)(C)CC3=O)=O)NC(C)(C)Cc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8712 |
| logD: | 3.5282 |
| logSw: | -4.2624 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.098 |
| InChI Key: | ALHPXVJBYQCZJZ-UHFFFAOYSA-N |