1.0 2020-03-10 17:01:10 UTC 2020-04-22 18:56:03 UTC BMDB0096098 BMDB96098 (E)-2-octenal 2-Octen-1-al 2-Octenal Oct-2-en-1-al (2E)-Oct-2-enal (e)-2-Octen-1-al (e)-Oct-2-enal 2-(e)-Octenal 2-trans-Octenal Oct-(e)-2-enal Oct-2(e)-enal Octene-1-oxide trans-2-Octen-1-al trans-2-Octenal trans-Oct-2-enal trans-Octen-2-al 2-Octenal, (e)-isomer 2-Octenal, (Z)-isomer 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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Medium-chain aldehydes Enals Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Enal Hydrocarbon derivative Medium-chain aldehyde Organic oxide Aliphatic acyclic compounds a small molecule enal monounsaturated fatty acid aldehyde logp 2.92 ALOGPS logs -2.55 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 number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes 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 FDB004121 16014 16900 61725 C00029316