7-(3,3-dimethyl-2-oxobutoxy)-6-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-6-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-(3,3-dimethyl-2-oxobutoxy)-6-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-2062 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-6-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C19 H22 O4 |
| Smiles: | Cc1c(ccc2C3CCCC=3C(=O)Oc12)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8939 |
| logD: | 3.8939 |
| logSw: | -4.1065 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.964 |
| InChI Key: | VEYACXRAZRKBAG-UHFFFAOYSA-N |