3,6,9-trimethyloctahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one
Chemical Structure Depiction of
3,6,9-trimethyloctahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one
3,6,9-trimethyloctahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one
Compound characteristics
| Compound ID: | 0115-0002 |
| Compound Name: | 3,6,9-trimethyloctahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one |
| Molecular Weight: | 282.33 |
| Molecular Formula: | C15 H22 O5 |
| Smiles: | CC1CCC2C(C)C(=O)OC3C24C1CCC(C)(O3)OO4 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8079 |
| logD: | 2.8079 |
| logSw: | -3.6879 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.703 |
| InChI Key: | BLUAFEHZUWYNDE-UHFFFAOYSA-N |