3-[(2-oxocyclohexyl)oxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
3-[(2-oxocyclohexyl)oxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
3-[(2-oxocyclohexyl)oxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | Y040-0858 |
| Compound Name: | 3-[(2-oxocyclohexyl)oxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 326.39 |
| Molecular Formula: | C20 H22 O4 |
| Smiles: | C1CCC2=C(CC1)c1ccc(cc1OC2=O)OC1CCCCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9209 |
| logD: | 3.9209 |
| logSw: | -4.0231 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.056 |
| InChI Key: | QPCILIIUPIOWGM-SFHVURJKSA-N |