methyl 3-acetyl-1-chloro-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
Chemical Structure Depiction of
methyl 3-acetyl-1-chloro-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
methyl 3-acetyl-1-chloro-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
Compound characteristics
| Compound ID: | 8017-6375 |
| Compound Name: | methyl 3-acetyl-1-chloro-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate |
| Molecular Weight: | 274.7 |
| Molecular Formula: | C12 H15 Cl O5 |
| Smiles: | CC(C1=C(C(C(=O)OC)(C(C)(C)CC1=O)[Cl])O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.303 |
| logD: | 0.1879 |
| logSw: | -1.7934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.75 |
| InChI Key: | PVZGPWNIGJGZFU-GFCCVEGCSA-N |