8,8-Dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one
PubChem CID: 44556806
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL3426665 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 537.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C19H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AHNJHIHTDFTTJW-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.456 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.433 |
| Compound Name | 8,8-Dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 296.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8159328363636362 |
| Inchi | InChI=1S/C19H20O3/c1-12(2)5-6-14-11-13-7-8-16(20)21-17(13)15-9-10-19(3,4)22-18(14)15/h5,7-11H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CC(O2)(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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