HuagongsheHuagongshe Chemistry Print Report · For research reference only
methyl (1S,2S,5R)-1-ethoxy-2-methyl-3-oxabicyclo[3.2.0]heptane-2-carboxylate
3-Oxabicyclo[3.2.0]heptane-2-carboxylic acid, 1-ethoxy-2-methyl-, methyl ester, (1S,2S,5R)- · 3-Oxabicyclo[3.2.0]heptane-2-carboxylicacid,1-ethoxy-2-methyl-,methylester,(1S,2S,5R)-(9CI)
![methyl (1S,2S,5R)-1-ethoxy-2-methyl-3-oxabicyclo[3.2.0]heptane-2-carboxylate molecular structure](/img/chemical/178728126.png)
Identifiers & Physical Properties
| CAS No. | 727429-04-1 |
|---|---|
| Molecular formula | C11H18O4 |
| Average molar mass | 214.26 g/mol |
| SMILES | CCO[C@@]12CC[C@@H]1CO[C@]2(C)C(=O)OC |
| InChIKey | NCYKNDPEDUBGDN-IEBDPFPHSA-N |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 44.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 278 |
| Boiling point | 254.8±25.0 °C(Predicted) |
| Density | 1.12±0.1 g/cm3(Predicted) |