7-[2-(2,2-dimethyloxan-4-yl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-[2-(2,2-dimethyloxan-4-yl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-[2-(2,2-dimethyloxan-4-yl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-4943 |
| Compound Name: | 7-[2-(2,2-dimethyloxan-4-yl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C21 H24 O5 |
| Smiles: | CC1(C)CC(CCO1)C(COc1ccc2C3CCCC=3C(=O)Oc2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1425 |
| logD: | 3.1425 |
| logSw: | -3.1404 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.312 |
| InChI Key: | HYIPUWHEVBJHOB-ZDUSSCGKSA-N |