9-[(3-Methylbut-2-en-1-yl)oxy]-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-one
PubChem CID: 46226618
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 160177-41-3, 9-[(3-Methylbut-2-en-1-yl)oxy]-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-one, CHEMBL595800, DTXSID60673153 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 9-(3-methylbut-2-enoxy)-[1,3]dioxolo[4,5-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LVDCFTVFEPEBSA-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -6.176 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.55 |
| Compound Name | 9-[(3-Methylbut-2-en-1-yl)oxy]-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6574864000000002 |
| Inchi | InChI=1S/C15H14O5/c1-9(2)5-6-17-14-10-3-4-13(16)20-11(10)7-12-15(14)19-8-18-12/h3-5,7H,6,8H2,1-2H3 |
| Smiles | CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1OCO3)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocaulon Sp (Plant) Rel Props:Source_db:cmaup_ingredients