ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | FF01-0528 |
| Compound Name: | ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate |
| Molecular Weight: | 250.29 |
| Molecular Formula: | C14 H18 O4 |
| Smiles: | CCOC(c1c(C)c2C(CC(C)(C)Cc2o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7134 |
| logD: | 2.7134 |
| logSw: | -2.5334 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.967 |
| InChI Key: | YBBHWLQRKJQVHM-UHFFFAOYSA-N |