2-[2-[(Z)-2-methyl-3-oxobut-1-enoxy]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID: 5316507
Connections displayed (default: 10).
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| Topological Polar Surface Area | 61.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 589.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[(Z)-2-methyl-3-oxobut-1-enoxy]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SKWHTELMVBBPHJ-KHPPLWFESA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -3.638 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.863 |
| Compound Name | 2-[2-[(Z)-2-methyl-3-oxobut-1-enoxy]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6887901333333337 |
| Inchi | InChI=1S/C19H20O5/c1-11(12(2)20)10-22-19(3,4)17-8-14-7-13-5-6-18(21)24-15(13)9-16(14)23-17/h5-7,9-10,17H,8H2,1-4H3/b11-10- |
| Smiles | C/C(=C/OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)/C(=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Carmichaelii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Peucedanum Rubricaule (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients