8,8-dimethyl-7-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl 2,3-dimethyloxirane-2-carboxylate
Chemical Structure Depiction of
8,8-dimethyl-7-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl 2,3-dimethyloxirane-2-carboxylate
8,8-dimethyl-7-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl 2,3-dimethyloxirane-2-carboxylate
Compound characteristics
| Compound ID: | N034-0004 |
| Compound Name: | 8,8-dimethyl-7-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl 2,3-dimethyloxirane-2-carboxylate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C24 H26 O8 |
| Smiles: | [H]C(\C)=C(/C)C(=O)OC1C(c2cc3C=CC(=O)Oc3cc2OC1(C)C)OC(C1(C)C([H])(C)O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3978 |
| logD: | 3.3978 |
| logSw: | -3.6552 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.491 |
| InChI Key: | SHZIIRHXBSCNRY-UHFFFAOYSA-N |