6-Ethenyl-5,7-dimethoxy-2,2-dimethylchromene
PubChem CID: 5318969
Connections displayed (default: 10).
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| Topological Polar Surface Area | 27.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethenyl-5,7-dimethoxy-2,2-dimethylchromene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SJVHIOOUDOGGBU-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.689 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.397 |
| Compound Name | 6-Ethenyl-5,7-dimethoxy-2,2-dimethylchromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 246.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 246.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.658563866666666 |
| Inchi | InChI=1S/C15H18O3/c1-6-10-12(16-4)9-13-11(14(10)17-5)7-8-15(2,3)18-13/h6-9H,1H2,2-5H3 |
| Smiles | CC1(C=CC2=C(C(=C(C=C2O1)OC)C=C)OC)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Leonurus Sibiricus (Plant) Rel Props:Source_db:cmaup_ingredients