rel-(1R,2R,4R,6S)-3-(4-methylbenzoyl)-7,9-dioxatricyclo[4.2.1.0~2,4~]nonan-5-one
Chemical Structure Depiction of
rel-(1R,2R,4R,6S)-3-(4-methylbenzoyl)-7,9-dioxatricyclo[4.2.1.0~2,4~]nonan-5-one
rel-(1R,2R,4R,6S)-3-(4-methylbenzoyl)-7,9-dioxatricyclo[4.2.1.0~2,4~]nonan-5-one
Compound characteristics
| Compound ID: | 8018-3361 |
| Compound Name: | rel-(1R,2R,4R,6S)-3-(4-methylbenzoyl)-7,9-dioxatricyclo[4.2.1.0~2,4~]nonan-5-one |
| Molecular Weight: | 258.27 |
| Molecular Formula: | C15 H14 O4 |
| Smiles: | [H][C@]12C(C(c3ccc(C)cc3)=O)[C@]2([H])[C@H]2CO[C@@H](C1=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6925 |
| logD: | 1.6925 |
| logSw: | -1.8233 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.906 |
| InChI Key: | IWMIXZGEYZWXFT-NECXOLOZSA-N |