7-(3,3-dimethyl-2-oxobutoxy)-8-hexyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-8-hexyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-(3,3-dimethyl-2-oxobutoxy)-8-hexyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | 4182-0598 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-8-hexyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C24 H32 O4 |
| Smiles: | CCCCCCc1cc2C3CCCC=3C(=O)Oc2cc1OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.549 |
| logD: | 6.549 |
| logSw: | -5.5578 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.279 |
| InChI Key: | RCIZDKIUUNHYSX-UHFFFAOYSA-N |