1.0 2010-04-08 22:09:45 UTC 2019-11-26 03:05:10 UTC FDB011639 Syoyualdehyde Odoriferous constituent of soya. Syoyualdehyde is found in pulses. Syoyualdehyde C6H8O2 112.1265 112.0524295 (2Z)-3-methyl-4-oxopent-2-enal (2Z)-3-methyl-4-oxopent-2-enal 58921-44-1 CC(=O)C(\C)=C/C=O InChI=1S/C6H8O2/c1-5(3-4-7)6(2)8/h3-4H,1-2H3/b5-3- PEBMIJGMJUFNQE-HYXAFXHYSA-N belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom. Alpha-branched alpha,beta-unsaturated ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Aldehydes Enals Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aldehyde Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Alpha-branched alpha,beta-unsaturated-ketone Enal Enone Hydrocarbon derivative Ketone Organic oxide logp 1.03 ALOGPS logs -0.64 ALOGPS solubility 2.56e+01 g/l ALOGPS logp 0.53 ChemAxon pka_strongest_acidic 19.48 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac (2Z)-3-methyl-4-oxopent-2-enal ChemAxon average_mass 112.1265 ChemAxon mono_mass 112.0524295 ChemAxon smiles CC(=O)C(\C)=C/C=O ChemAxon formula C6H8O2 ChemAxon inchi InChI=1S/C6H8O2/c1-5(3-4-7)6(2)8/h3-4H,1-2H3/b5-3- ChemAxon inchikey PEBMIJGMJUFNQE-HYXAFXHYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 31.59 ChemAxon polarizability 11.52 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18953 Specdb::CMs 151591 Specdb::MsIr 6162 Specdb::MsIr 6163 Specdb::MsMs 102102 Specdb::MsMs 102103 Specdb::MsMs 102104 Specdb::MsMs 167835 Specdb::MsMs 167836 Specdb::MsMs 167837 Specdb::MsMs 2691620 Specdb::MsMs 2691621 Specdb::MsMs 2691622 Specdb::MsMs 2991146 Specdb::MsMs 2991147 Specdb::MsMs 2991148 Specdb::NmrOneD 120758 Specdb::NmrOneD 120759 Specdb::NmrOneD 120760 Specdb::NmrOneD 120761 Specdb::NmrOneD 120762 Specdb::NmrOneD 120763 Specdb::NmrOneD 120764 Specdb::NmrOneD 120765 Specdb::NmrOneD 120766 Specdb::NmrOneD 120767 Specdb::NmrOneD 120768 Specdb::NmrOneD 120769 Specdb::NmrOneD 120770 Specdb::NmrOneD 120771 Specdb::NmrOneD 120772 Specdb::NmrOneD 120773 Specdb::NmrOneD 120774 Specdb::NmrOneD 120775 Specdb::NmrOneD 120776 Specdb::NmrOneD 120777 HMDB33569 #<Reference:0x000055ce305c4758> Pulses Unknown generic