4-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
PubChem CID: 162943449
Connections displayed (default: 10).
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| Topological Polar Surface Area | 61.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 634.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C21H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WBTSWHZFTZFCHT-QGZVFWFLSA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -6.717 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.165 |
| Compound Name | 4-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 354.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.212992400000001 |
| Inchi | InChI=1S/C21H22O5/c1-6-20(2,3)14-9-13-16(25-19(14)22)10-15-12(7-8-23-15)18(13)24-11-17-21(4,5)26-17/h6-10,17H,1,11H2,2-5H3/t17-/m1/s1 |
| Smiles | CC1([C@H](O1)COC2=C3C=COC3=CC4=C2C=C(C(=O)O4)C(C)(C)C=C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Davallia Solida (Plant) Rel Props:Source_db:cmaup_ingredients