1.0 2010-04-08 22:06:06 UTC 2025-11-18 22:55:17 UTC FDB004121 Oct-2-en-1-al Oct-2-en-1-al, also known as 2-octenal or oct-(E)-2-enal, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Oct-2-en-1-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Oct-2-en-1-al can be found in black walnut and burdock, which makes oct-2-en-1-al a potential biomarker for the consumption of these food products. Oct-2-en-1-al can be found primarily in feces and urine. C8H14O 126.1962 126.10446507 oct-2-enal 2-octenal 2363-89-5 [H]C(=O)C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3 LVBXEMGDVWVTGY-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Medium-chain aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Enals Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Enal Hydrocarbon derivative Medium-chain aldehyde Organic oxide a small molecule enal monounsaturated fatty acid aldehyde logp 2.92 ALOGPS logs -2.55 ALOGPS solubility 3.57e-01 g/l ALOGPS logp 2.54 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac oct-2-enal ChemAxon average_mass 126.1962 ChemAxon mono_mass 126.10446507 ChemAxon smiles [H]C(=O)C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] ChemAxon formula C8H14O ChemAxon inchi InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3 ChemAxon inchikey LVBXEMGDVWVTGY-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.44 ChemAxon polarizability 15.65 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22028 Specdb::CMs 153741 Specdb::MsMs 9659 Specdb::MsMs 9660 Specdb::MsMs 9661 Specdb::MsMs 16331 Specdb::MsMs 16332 Specdb::MsMs 16333 Specdb::MsMs 2789257 Specdb::MsMs 2789258 Specdb::MsMs 2789259 Specdb::MsMs 2919239 Specdb::MsMs 2919240 Specdb::MsMs 2919241 HMDB0013809 Black walnut Type 1 specific Juglans nigra 16719 1800.0 1800.0 1800.0 mg/100 g Burdock Type 1 specific Arctium lappa 4217 green