2-methylpropyl 2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]butanoate
Chemical Structure Depiction of
2-methylpropyl 2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]butanoate
2-methylpropyl 2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]butanoate
Compound characteristics
| Compound ID: | 4789-5104 |
| Compound Name: | 2-methylpropyl 2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]butanoate |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C20 H24 O5 |
| Smiles: | CCC(C(=O)OCC(C)C)Oc1ccc2C3CCCC=3C(=O)Oc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3499 |
| logD: | 4.3499 |
| logSw: | -4.4058 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.248 |
| InChI Key: | KXKPLXMVBPUHLE-KRWDZBQOSA-N |