methyl [(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetate
Chemical Structure Depiction of
methyl [(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetate
methyl [(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y042-2718 |
| Compound Name: | methyl [(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetate |
| Molecular Weight: | 332.35 |
| Molecular Formula: | C18 H20 O6 |
| Smiles: | CC1=CC(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7351 |
| logD: | 2.7351 |
| logSw: | -2.9438 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.827 |
| InChI Key: | QPNUBUUAGHTCEW-UHFFFAOYSA-N |