1.0 2011-09-26 22:53:52 UTC 2025-11-19 02:58:19 UTC FDB029663 (Z)-3-octen-2-one Flavouring compound [Flavornet] C8H14O 126.199 126.104465071 (3Z)-oct-3-en-2-one (3Z)-oct-3-en-2-one 51193-77-2 [H]\C(CCCC)=C(/[H])C(C)=O InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6- ZCFOBLITZWHNNC-SREVYHEPSA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Enone Hydrocarbon derivative Ketone Organic oxide logp 2.43 ALOGPS logs -2.17 ALOGPS solubility 8.57e-01 g/l ALOGPS logp 2.58 ChemAxon pka_strongest_acidic 19.85 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (3Z)-oct-3-en-2-one ChemAxon average_mass 126.199 ChemAxon mono_mass 126.104465071 ChemAxon smiles [H]\C(CCCC)=C(/[H])C(C)=O ChemAxon formula C8H14O ChemAxon inchi InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6- ChemAxon inchikey ZCFOBLITZWHNNC-SREVYHEPSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.32 ChemAxon polarizability 15.68 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1237813 Specdb::MsMs 1237814 Specdb::MsMs 1237815 Specdb::MsMs 1353265 Specdb::MsMs 1353266 Specdb::MsMs 1353267 Specdb::MsMs 3607090 Specdb::MsMs 3607091 Specdb::MsMs 3607092 Specdb::MsMs 3607093 Specdb::MsMs 3607094 Specdb::MsMs 3607095 nut nutty