1.0 2010-04-08 22:10:41 UTC 2015-07-20 22:58:49 UTC FDB013401 3-(3-Ethyloxiranyl)-2-propenal Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adducts 2-Propenal, 3-(3-ethyloxiranyl)- 3-(3-Ethyloxiranyl)-2-propenal, 9CI 4,5-Epoxy-2-heptenal 4,5(E)-Epoxy-2(E)-heptenal C7H10O2 126.1531 126.068079564 (2E)-3-(3-ethyloxiran-2-yl)prop-2-enal (2E)-3-(3-ethyloxiran-2-yl)prop-2-enal 78307-41-2 CCC1OC1\C=C\C=O InChI=1S/C7H10O2/c1-2-6-7(9-6)4-3-5-8/h3-7H,2H2,1H3/b4-3+ PGTKHYGKDOAHEN-ONEGZZNKSA-N belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. Enals Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic heteromonocyclic compounds Aldehydes Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aldehyde Aliphatic heteromonocyclic compound Dialkyl ether Enal Ether Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle Oxirane logp 1.06 ALOGPS logs -1.39 ALOGPS solubility 5.19e+00 g/l ALOGPS logp 0.95 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2E)-3-(3-ethyloxiran-2-yl)prop-2-enal ChemAxon average_mass 126.1531 ChemAxon mono_mass 126.068079564 ChemAxon smiles CCC1OC1\C=C\C=O ChemAxon formula C7H10O2 ChemAxon inchi InChI=1S/C7H10O2/c1-2-6-7(9-6)4-3-5-8/h3-7H,2H2,1H3/b4-3+ ChemAxon inchikey PGTKHYGKDOAHEN-ONEGZZNKSA-N ChemAxon polar_surface_area 29.6 ChemAxon refractivity 35.21 ChemAxon polarizability 13.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16970 Specdb::CMs 169744 Specdb::MsMs 54642 Specdb::MsMs 54643 Specdb::MsMs 54644 Specdb::MsMs 121617 Specdb::MsMs 121618 Specdb::MsMs 121619 Specdb::MsMs 2415757 Specdb::MsMs 2415758 Specdb::MsMs 2415759 Specdb::MsMs 2546079 Specdb::MsMs 2546080 Specdb::MsMs 2546081 Specdb::NmrOneD 127848 Specdb::NmrOneD 127849 Specdb::NmrOneD 127850 Specdb::NmrOneD 127851 Specdb::NmrOneD 127852 Specdb::NmrOneD 127853 Specdb::NmrOneD 127854 Specdb::NmrOneD 127855 Specdb::NmrOneD 127856 Specdb::NmrOneD 127857 Specdb::NmrOneD 127858 Specdb::NmrOneD 127859 Specdb::NmrOneD 127860 Specdb::NmrOneD 127861 Specdb::NmrOneD 127862 Specdb::NmrOneD 127863 Specdb::NmrOneD 127864 Specdb::NmrOneD 127865 Specdb::NmrOneD 127866 Specdb::NmrOneD 127867 HMDB34835 #<Reference:0x000055ce3178a168>