1.0 2010-04-08 22:06:16 UTC 2025-11-18 22:56:26 UTC FDB004493 Hex-cis-3-en-1-al Hex-cis-3-en-1-al, also known as (Z)-3-hexenal, 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. Thus, hex-cis-3-en-1-al is considered to be a fatty aldehyde lipid molecule. Hex-cis-3-en-1-al is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Hex-cis-3-en-1-al can be found in corn, highbush blueberry, and tea, which makes hex-cis-3-en-1-al a potential biomarker for the consumption of these food products. C6H10O 98.145 98.073164942 (3E)-hex-3-enal 3-hexenal, (E)- [H]\C(CC)=C(\[H])CC=O InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+ GXANMBISFKBPEX-ONEGZZNKSA-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 Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Medium-chain aldehyde Organic oxide Fatty aldehydes logp 1.61 ALOGPS logs -1.34 ALOGPS solubility 4.44e+00 g/l ALOGPS logp 1.29 ChemAxon pka_strongest_acidic 18.39 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3E)-hex-3-enal ChemAxon average_mass 98.145 ChemAxon mono_mass 98.073164942 ChemAxon smiles [H]\C(CC)=C(\[H])CC=O ChemAxon formula C6H10O ChemAxon inchi InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+ ChemAxon inchikey GXANMBISFKBPEX-ONEGZZNKSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 31.26 ChemAxon polarizability 11.56 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65955 Specdb::MsMs 65956 Specdb::MsMs 65957 Specdb::MsMs 123408 Specdb::MsMs 123409 Specdb::MsMs 123410 Specdb::MsMs 3600545 Specdb::MsMs 3600546 Specdb::MsMs 3600547 Specdb::MsMs 3600548 Specdb::MsMs 3600549 Specdb::MsMs 3600550 HMDB0031497 Black tea Type 1 37.0 37.0 37.0 mg/100 g Corn Type 1 specific Zea mays 4577 Green tea Type 1 37.0 37.0 37.0 mg/100 g Herbal tea Type 1 37.0 37.0 37.0 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0035 0.0035 0.0035 mg/100 g Red tea Type 1 37.0 37.0 37.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 37.0 37.0 37.0 mg/100 g