1.0 2010-04-08 22:14:20 UTC 2015-07-21 06:35:39 UTC FDB019417 6-Octenal Listed in the EAFUS Food Additive Database (Jan. 2001) C8H14O 126.1962 126.10446507 (6Z)-oct-6-enal (6Z)-oct-6-enal 63826-25-5 C\C=C/CCCCC=O InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3/b3-2- KVNBGNGISDIZRP-IHWYPQMZSA-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 logp 2.69 ALOGPS logs -2.52 ALOGPS solubility 3.79e-01 g/l ALOGPS logp 2.18 ChemAxon pka_strongest_acidic 15.51 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac (6Z)-oct-6-enal ChemAxon average_mass 126.1962 ChemAxon mono_mass 126.10446507 ChemAxon smiles C\C=C/CCCCC=O ChemAxon formula C8H14O ChemAxon inchi InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3/b3-2- ChemAxon inchikey KVNBGNGISDIZRP-IHWYPQMZSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.47 ChemAxon polarizability 15.6 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8290 Specdb::MsIr 8291 Specdb::CMs 23873 Specdb::CMs 137969 Specdb::CMs 145703 Specdb::MsMs 318886 Specdb::MsMs 318887 Specdb::MsMs 318888 Specdb::MsMs 365827 Specdb::MsMs 365828 Specdb::MsMs 365829 Specdb::MsMs 2304681 Specdb::MsMs 2304682 Specdb::MsMs 2304683 Specdb::MsMs 2657104 Specdb::MsMs 2657105 Specdb::MsMs 2657106 HMDB39769 #<Reference:0x000055ce326344c0>