1.0 2010-04-08 22:08:16 UTC 2020-02-24 19:10:57 UTC FDB008816 Cepanone Constituent of Allium cepa (shallot) flavour and other Allium subspecies Cepanone is found in garden onion and onion-family vegetables. 2,3-Dihydro-2-n-octyl-5-methyl-furan-3-one 2,3-Dihydro-5-methyl-2-n-octylfuran-3-one 2H-Furan-3-one, 5-methyl-2-octyl 3(2H)-Furanone, 5-methyl-2-octyl- 5-Methyl-2-octyl-3(2H)-furanone Cepanone C13H22O2 210.3126 210.161979948 5-methyl-2-octyl-2,3-dihydrofuran-3-one 5-methyl-2-octyl-2H-furan-3-one 57877-72-2 CCCCCCCCC1OC(C)=CC1=O InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-13-12(14)10-11(2)15-13/h10,13H,3-9H2,1-2H3 ZLLDSWALGJWTSW-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 3.76 ALOGPS logs -3.83 ALOGPS solubility 3.13e-02 g/l ALOGPS logp 3.92 ChemAxon pka_strongest_acidic 8.43 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 5-methyl-2-octyl-2,3-dihydrofuran-3-one ChemAxon average_mass 210.3126 ChemAxon mono_mass 210.161979948 ChemAxon smiles CCCCCCCCC1OC(C)=CC1=O ChemAxon formula C13H22O2 ChemAxon inchi InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-13-12(14)10-11(2)15-13/h10,13H,3-9H2,1-2H3 ChemAxon inchikey ZLLDSWALGJWTSW-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 63.46 ChemAxon polarizability 26.08 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5092 Specdb::MsIr 5093 Specdb::CMs 19199 Specdb::CMs 171180 Specdb::MsMs 76425 Specdb::MsMs 76426 Specdb::MsMs 76427 Specdb::MsMs 136254 Specdb::MsMs 136255 Specdb::MsMs 136256 Specdb::MsMs 2355798 Specdb::MsMs 2355799 Specdb::MsMs 2355800 Specdb::MsMs 2607258 Specdb::MsMs 2607259 Specdb::MsMs 2607260 HMDB32098 #<Reference:0x000055ce3246ace8> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875