3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | Y040-0873 |
| Compound Name: | 3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 342.43 |
| Molecular Formula: | C21 H26 O4 |
| Smiles: | Cc1c(ccc2C3CCCCCC=3C(=O)Oc12)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1872 |
| logD: | 5.1872 |
| logSw: | -5.0162 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.929 |
| InChI Key: | OGWDBZBCHYZEMO-UHFFFAOYSA-N |