9-(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8009-2629 |
| Compound Name: | 9-(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C25 H26 O6 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(c3c(c2)SC(=O)O3)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1095 |
| logD: | 4.1095 |
| logSw: | -4.466 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.784 |
| InChI Key: | IZKNYYPDSRGIFQ-UHFFFAOYSA-N |