1.0 2011-09-26 22:53:38 UTC 2025-11-19 02:58:15 UTC FDB029653 (E)-1,5-octadien-3-one Flavouring compound [Flavornet] C8H12O 124.1803 124.088815006 (5E)-octa-1,5-dien-3-one (5E)-octa-1,5-dien-3-one 359794-78-8 CC\C=C\CC(=O)C=C InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5+ VWYBQOFZVSNDAW-AATRIKPKSA-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 1.97 ALOGPS logs -2.46 ALOGPS solubility 4.32e-01 g/l ALOGPS logp 2.53 ChemAxon pka_strongest_acidic 16.8 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (5E)-octa-1,5-dien-3-one ChemAxon average_mass 124.1803 ChemAxon mono_mass 124.088815006 ChemAxon smiles CC\C=C\CC(=O)C=C ChemAxon formula C8H12O ChemAxon inchi InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5+ ChemAxon inchikey VWYBQOFZVSNDAW-AATRIKPKSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.39 ChemAxon polarizability 14.85 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19254 Specdb::CMs 147443 Specdb::MsIr 5436 Specdb::MsIr 5437 Specdb::MsMs 308782 Specdb::MsMs 308783 Specdb::MsMs 308784 Specdb::MsMs 353053 Specdb::MsMs 353054 Specdb::MsMs 353055 Specdb::MsMs 2327244 Specdb::MsMs 2327245 Specdb::MsMs 2327246 Specdb::MsMs 2612167 Specdb::MsMs 2612168 Specdb::MsMs 2612169 HMDB0032447 earth earthy must musty