methyl 2-oxo-4-[(2Z)-1-oxobut-2-en-2-yl]-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID: 10013857
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| Compound Synonyms | methyl 2-oxo-4-[(2Z)-1-oxobut-2-en-2-yl]-3,4-dihydro-2H-pyran-5-carboxylate |
|---|---|
| Topological Polar Surface Area | 69.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of olive oil. Elenolide is found in many foods, some of which are fats and oils, olive, pomes, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 378.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-oxo-4-[(Z)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-carboxylate |
| Nih Violation | True |
| Class | Pyrans |
| Xlogp | 0.2 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Pyranones and derivatives |
| Molecular Formula | C11H12O5 |
| Inchi Key | TXTINTVPMBCGKO-XVNBXDOJSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | Michelenolide, Methyl 2-oxo-4-[(2Z)-1-oxobut-2-en-2-yl]-3,4-dihydro-2H-pyran-5-carboxylic acid |
| Compound Name | methyl 2-oxo-4-[(2Z)-1-oxobut-2-en-2-yl]-3,4-dihydro-2H-pyran-5-carboxylate |
| Kingdom | Organic compounds |
| Exact Mass | 224.068 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 224.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 224.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3+ |
| Smiles | C/C=C(\C=O)/C1CC(=O)OC=C1C(=O)OC |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Dihydropyranones |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all