1.0 2011-09-26 22:53:35 UTC 2025-11-19 02:58:14 UTC FDB029651 (Z)-1,5-octadien-3-one Flavouring compound [Flavornet] C8H12O 124.183 124.088815006 (5Z)-octa-1,5-dien-3-one (5Z)-octa-1,5-dien-3-one 65767-22-8 [H]\C(CC)=C(/[H])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-WAYWQWQTSA-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 (5Z)-octa-1,5-dien-3-one ChemAxon average_mass 124.183 ChemAxon mono_mass 124.088815006 ChemAxon smiles [H]\C(CC)=C(/[H])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-WAYWQWQTSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.39 ChemAxon polarizability 14.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1308220 Specdb::MsMs 1308221 Specdb::MsMs 1308222 Specdb::MsMs 1422727 Specdb::MsMs 1422728 Specdb::MsMs 1422729 Specdb::MsMs 3607045 Specdb::MsMs 3607046 Specdb::MsMs 3607047 Specdb::MsMs 3607048 Specdb::MsMs 3607049 Specdb::MsMs 3607050 geranium metal