1.0 2026-09-22 01:58:04 UTC 2026-09-22 01:58:04 UTC FDB117530 Trinexapac-ethyl ethyl 4-[cyclopropyl(hydroxy)methylene]-3,5-dioxo-cyclohexanecarboxylate ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate C13H16O5 252.266 252.099773615 ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate trinexapac-ethyl CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11- RVKCCVTVZORVGD-QXMHVHEDSA-N belongs to the class of organic compounds known as vinylogous acids. These are organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety. Vinylogous acids Organic compounds Organic acids and derivatives Vinylogous acids Aliphatic homomonocyclic compounds Carboxylic acid esters Cyclic ketones Enols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Enol Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Vinylogous acid beta-hydroxy ketone cyclohexanones enol ethyl ester logp 0.94 ALOGPS logs -1.60 ALOGPS solubility 6.32e+00 g/l ALOGPS logp 0.9 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate ChemAxon average_mass 252.266 ChemAxon mono_mass 252.099773615 ChemAxon smiles CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 ChemAxon formula C13H16O5 ChemAxon inchi InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11- ChemAxon inchikey RVKCCVTVZORVGD-QXMHVHEDSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 64.07 ChemAxon polarizability 25.91 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 107344 Specdb::CMs 119700 Specdb::CMs 993396 Specdb::CMs 993397 Specdb::CMs 993398 Specdb::CMs 993399 Specdb::MsMs 72618 Specdb::MsMs 72619 Specdb::MsMs 72620 Specdb::MsMs 131589 Specdb::MsMs 131590 Specdb::MsMs 131591 Specdb::NmrOneD 241088 Specdb::NmrOneD 241089 Specdb::NmrOneD 241090 Specdb::NmrOneD 241091 Specdb::NmrOneD 241092 Specdb::NmrOneD 241093 Specdb::NmrOneD 241094 Specdb::NmrOneD 241095 Specdb::NmrOneD 241096 Specdb::NmrOneD 241097 Specdb::NmrOneD 241098 Specdb::NmrOneD 241099 Specdb::NmrOneD 241100 Specdb::NmrOneD 241101 Specdb::NmrOneD 241102 Specdb::NmrOneD 241103 Specdb::NmrOneD 241104 Specdb::NmrOneD 241105 Specdb::NmrOneD 241106 Specdb::NmrOneD 241107