methyl (4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetate
Chemical Structure Depiction of
methyl (4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetate
methyl (4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetate
Compound characteristics
| Compound ID: | D715-0944 |
| Compound Name: | methyl (4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetate |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C18 H20 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc3c(CCC(C)(C)O3)cc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4764 |
| logD: | 3.4764 |
| logSw: | -3.6529 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.072 |
| InChI Key: | KMPNOBRBBQHNRK-UHFFFAOYSA-N |