6-methyl-5,6-dihydro-2H-pyran-2-one
PubChem CID: 24869
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| Compound Synonyms | 108-54-3, 6-Methyl-5,6-dihydro-2H-pyran-2-one, 5-Hydroxy-2-hexenoic acid lactone, 2-methyl-2,3-dihydropyran-6-one, 6-methyl-5,6-dihydropyran-2-one, 2H-Pyran-2-one, 5,6-dihydro-6-methyl-, 5,6-DIHYDRO-6-METHYL-2H-PYRAN-2-ONE, DTXSID50871944, NSC-24508, NSC 24508, DL-Parasorbic acid, 2-Hexen-5-olide, starbld0047975, (+/-)-Parasorbic acid, JB2SVU863U, 2H-PYRAN-2-ONE,5,6-DIHYDRO-6-METHYL-, Parasorbic acid, (+/-)-, SCHEMBL979332, DTXCID00819553, DYNKRGCMLGUEMN-UHFFFAOYSA-N, NSC24508, HY-N13197, AKOS028108406, 2H-Pyran-2-one,6-dihydro-6-methyl-, FS-7829, D-lactone of 5-hydroxy-2-hexenoic acid, 5-Hydroxyhex-2-enoic acid delta-lactone, DS-013356, EN300-7597993, Z1509022444, 854-224-6 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | Parasorbic acid, also known as parasorbate, is a member of the class of compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Parasorbic acid is soluble (in water) and an extremely weak acidic compound (based on its pKa). Parasorbic acid can be found in american cranberry and rowanberry, which makes parasorbic acid a potential biomarker for the consumption of these food products. Parasorbic acid is the cyclic lactone of sorbic acid. Thermal treatment or hydrolysis converts the lactone to sorbic acid . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-2,3-dihydropyran-6-one |
| Prediction Hob | 1.0 |
| Class | Pyrans |
| Xlogp | 1.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyranones and derivatives |
| Molecular Formula | C6H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DYNKRGCMLGUEMN-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 0.0 |
| Synonyms | Hexenollactone, Parasorbate |
| Compound Name | 6-methyl-5,6-dihydro-2H-pyran-2-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 112.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -1.2344936 |
| Inchi | InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3 |
| Smiles | CC1CC=CC(=O)O1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dihydropyranones |
- 1. Outgoing r'ship
FOUND_INto/from Sorbus Aucuparia (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vaccinium Macrocarpon (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all