butyl [(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetate
Chemical Structure Depiction of
butyl [(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetate
butyl [(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-0832 |
| Compound Name: | butyl [(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetate |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C19 H22 O5 |
| Smiles: | CCCCOC(COc1cc(C)cc2c1C1CCCC=1C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7498 |
| logD: | 3.7498 |
| logSw: | -4.0089 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.485 |
| InChI Key: | QCSMTHWMEKZWDK-UHFFFAOYSA-N |