3(2H)-Furanone, 2-hexyl-5-methyl-
PubChem CID: 566912
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| Compound Synonyms | 3(2H)-Furanone, 2-hexyl-5-methyl-, 2-Hexyl-5-methyl-3(2H)-furanone, xi-2-Hexyl-5-methyl-3(2H)-furanone, 33922-66-6, 2-hexyl-5-methyluran-3-one, SCHEMBL7074049, DTXSID90340740, AAUWBAWSKVOBFL-UHFFFAOYSA-N, CHEBI:195878, n-Hexyl-5-methyl-3(2H)-furanon, 2-Hexyl-5-methyl-(2H)-furan-3-one, 2-Hexyl-5-methyl-2(3H)-furan-3-one, 2-hexyl-5-methyl-2,3-dihydrofuran-3-one, 2,3-Dihydro-5-methyl-2-n-hexylfuran-3-one, 2,3-Dihydro-2-n-hexyl-5-methyl-furan-3-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | AAUWBAWSKVOBFL-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2-Hexyl-5-methyl-3-oxo-2,3-dihydrofuran, Norcepanone |
| Heavy Atom Count | 13.0 |
| Compound Name | 3(2H)-Furanone, 2-hexyl-5-methyl- |
| Description | Xi-2-hexyl-5-methyl-3(2h)-furanone is a member of the class of compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Xi-2-hexyl-5-methyl-3(2h)-furanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xi-2-hexyl-5-methyl-3(2h)-furanone can be found in onion-family vegetables, which makes xi-2-hexyl-5-methyl-3(2h)-furanone a potential biomarker for the consumption of this food product. |
| Exact Mass | 182.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 182.26 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexyl-5-methylfuran-3-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3 |
| Smiles | CCCCCCC1C(=O)C=C(O1)C |
| Xlogp | 3.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H18O2 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all