1.02010-04-08 22:07:22 UTC2019-11-26 03:01:23 UTCFDB0069532-Hexen-4-olide2-Hexen-4-olide is a member of the class of compounds known as butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. 2-hexen-4-olide is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-hexen-4-olide is a spice tasting compound found in red raspberry, which makes 2-hexen-4-olide a potential biomarker for the consumption of this food product. 2-Hexen-1,4-lactone4-Hydroxy-2-hexenoic acid gamma-lactone4-Hydroxy-2-hexenoic acid lactone4-Hydroxyhex-2-enoic acid lactone5-Ethyl-(5H)-furan-2-one5-Ethyl-2(5H)-furanone5-Ethyl-5H-furan-2-one5-Ethylfuran-2(5H)-oneC6H8O2112.1265112.05242955-ethyl-2,5-dihydrofuran-2-one5-ethyl-5H-furan-2-one2407-43-4CCC1OC(=O)C=C1InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3GOUILHYTHSOMQJ-UHFFFAOYSA-N belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.ButenolidesOrganic compoundsOrganoheterocyclic compoundsDihydrofuransFuranonesAliphatic heteromonocyclic compoundsCarbonyl compoundsEnoate estersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compounds2-furanoneAliphatic heteromonocyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEnoate esterHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclelogp1.33logs-0.66solubility2.48e+01 g/llogp1.48pka_strongest_acidic8.21pka_strongest_basic-6.8iupac5-ethyl-2,5-dihydrofuran-2-oneaverage_mass112.1265mono_mass112.0524295smilesCCC1OC(=O)C=C1formulaC6H8O2inchiInChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3inchikeyGOUILHYTHSOMQJ-UHFFFAOYSA-Npolar_surface_area26.3refractivity30.19polarizability11.43rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs58281Specdb::MsMs58282Specdb::MsMs58283Specdb::MsMs114180Specdb::MsMs114181Specdb::MsMs114182Specdb::MsMs3603494Specdb::MsMs3603495Specdb::MsMs3603496Specdb::MsMs3603497Specdb::MsMs3603498Specdb::MsMs3603499AsparagusType 1specificAsparagus officinalis4686Red raspberryType 1specificRubus idaeus32247spice