1.0 2010-04-08 22:09:12 UTC 2025-11-18 23:20:48 UTC FDB010601 Norcepanone 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. 2-Hexyl-5-methyl-3-oxo-2,3-dihydrofuran Norcepanone C11H18O2 182.2594 182.13067982 2-hexyl-5-methyl-2,3-dihydrofuran-3-one 2-hexyl-5-methyl-2H-furan-3-one 33922-66-6 CCCCCCC1OC(C)=CC1=O InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3 AAUWBAWSKVOBFL-UHFFFAOYSA-N belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Furanones Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteromonocyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous esters 3-furanone Aliphatic heteromonocyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Vinylogous ester logp 2.94 ALOGPS logs -2.72 ALOGPS solubility 3.47e-01 g/l ALOGPS logp 3.03 ChemAxon pka_strongest_acidic 8.43 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-hexyl-5-methyl-2,3-dihydrofuran-3-one ChemAxon average_mass 182.2594 ChemAxon mono_mass 182.13067982 ChemAxon smiles CCCCCCC1OC(C)=CC1=O ChemAxon formula C11H18O2 ChemAxon inchi InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3 ChemAxon inchikey AAUWBAWSKVOBFL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.25 ChemAxon polarizability 21.86 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14471 Specdb::CMs 26895 Specdb::CMs 101917 Specdb::CMs 166140 Specdb::MsIr 7784 Specdb::MsIr 7785 Specdb::MsMs 8963 Specdb::MsMs 8964 Specdb::MsMs 8965 Specdb::MsMs 15635 Specdb::MsMs 15636 Specdb::MsMs 15637 Specdb::MsMs 2344262 Specdb::MsMs 2344263 Specdb::MsMs 2344264 Specdb::MsMs 2590567 Specdb::MsMs 2590568 Specdb::MsMs 2590569 HMDB0038005 Garden onion Type 1 specific Allium cepa 4679