7-(3,3-dimethyl-2-oxobutoxy)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-(3,3-dimethyl-2-oxobutoxy)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-1213 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 300.35 |
| Molecular Formula: | C18 H20 O4 |
| Smiles: | CC(C)(C)C(COc1ccc2C3CCCC=3C(=O)Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3616 |
| logD: | 3.3616 |
| logSw: | -3.6783 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.193 |
| InChI Key: | DABZHMKVXYMJFM-UHFFFAOYSA-N |