1.0 2011-09-26 22:54:04 UTC 2025-11-19 02:58:24 UTC FDB029673 3,5-octadien-2-one 3,5-Octadien-2-one belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. An enone, also called an α, β-unsaturated carbonyl, is a type of organic compound consisting of an alkene conjugated to a ketone. 3,5-octadien-2-one exists in multiple cis or trans isomers. The trans-trans or (3E, 5E) form is most biologically relevant. 3,5-octadien-2-one is a clear, yellowy liquid that is weakly water soluble (1.6 g/L). 3,5-octadien-2-one has a fruity, green, grassy odor. 3,5-octadien-2-one has been detected, but not quantified in, asparagus, oysters and cauliflowers. This could make 3,5-octadien-2-one a potential biomarker for the consumption of these foods. C8H12O 124.183 124.088815006 octa-3,5-dien-2-one octa-3,5-dien-2-one 38284-27-4 CCC=CC=CC(C)=O InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3 LWRKMRFJEUFXIB-UHFFFAOYSA-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 1.90 ALOGPS logs -2.21 ALOGPS solubility 7.69e-01 g/l ALOGPS logp 2.22 ChemAxon pka_strongest_acidic 19.73 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac octa-3,5-dien-2-one ChemAxon average_mass 124.183 ChemAxon mono_mass 124.088815006 ChemAxon smiles CCC=CC=CC(C)=O ChemAxon formula C8H12O ChemAxon inchi InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3 ChemAxon inchikey LWRKMRFJEUFXIB-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 41.44 ChemAxon polarizability 15.23 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 103197 Specdb::MsMs 1236601 Specdb::MsMs 1236602 Specdb::MsMs 1236603 Specdb::MsMs 1352068 Specdb::MsMs 1352069 Specdb::MsMs 1352070 Specdb::MsMs 3607123 Specdb::MsMs 3607124 Specdb::MsMs 3607125 Specdb::MsMs 3607126 Specdb::MsMs 3607127 Specdb::MsMs 3607128 Asparagus Type 1 specific Asparagus officinalis 4686 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 fat fatty fruit fruity mushroom