(1RS)-3-methyl-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran]-4'(1'H)-one
Chemical Structure Depiction of
(1RS)-3-methyl-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran]-4'(1'H)-one
(1RS)-3-methyl-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran]-4'(1'H)-one
Compound characteristics
| Compound ID: | Y040-3363 |
| Compound Name: | (1RS)-3-methyl-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran]-4'(1'H)-one |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C21 H24 O3 |
| Smiles: | CC1CCC[C@@]2(CCc3cc4C5CCCC=5C(=O)Oc4cc3O2)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1977 |
| logD: | 5.1977 |
| logSw: | -5.1049 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.1824 |
| InChI Key: | ODZKOGJLVWIJHF-KCSFHACMSA-N |