2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3509-0009 |
| Compound Name: | 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C23 H26 O4 |
| Smiles: | CC1(C)CC2=C(C(C3C(CC(C)(C)CC3=O)=O)c3ccccc3O2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1515 |
| logD: | 0.8184 |
| logSw: | -3.3717 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.777 |
| InChI Key: | XQDXIHYKAGHZRX-LJQANCHMSA-N |