methyl 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoate
methyl 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoate
Compound characteristics
| Compound ID: | 2039-0516 |
| Compound Name: | methyl 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoate |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C25 H28 O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(cc2)C(=O)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1744 |
| logD: | 4.1744 |
| logSw: | -4.5708 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.571 |
| InChI Key: | YFMFDOQYINRNRW-UHFFFAOYSA-N |