1.0 2016-09-30 22:31:52 UTC 2020-04-22 15:03:55 UTC BMDB0000509 BMDB00509 Senecioic acid 3,3-Dimethylacrylic acid 3-Methyl-2-butenoic acid 3-Methylcrotonic acid beta,beta-Dimethacrylic acid beta,beta-Dimethylacrylic acid beta-Methylcrotonic acid SENECIC ACID 3,3-Dimethylacrylate 3-Methyl-2-butenoate 3-Methylcrotonate b,b-Dimethacrylate b,b-Dimethacrylic acid beta,beta-Dimethacrylate Β,β-dimethacrylate Β,β-dimethacrylic acid b,b-Dimethylacrylate b,b-Dimethylacrylic acid beta,beta-Dimethylacrylate Β,β-dimethylacrylate Β,β-dimethylacrylic acid b-Methylcrotonate b-Methylcrotonic acid beta-Methylcrotonate Β-methylcrotonate Β-methylcrotonic acid SENECate Senecioate 3-Methyl-crotonate 3-Methyl-crotonic acid 3-Methylbut-2-enoate 3-Methylbut-2-enoic acid b,b-Dimethyl acrylate b,b-Dimethyl acrylic acid beta,beta-Dimethyl acrylate Β,β-dimethyl acrylate Β,β-dimethyl acrylic acid Senecioic acid C5H8O2 100.1158 100.0524295 3-methylbut-2-enoic acid β,β-dimethacrylate 541-47-9 CC(C)=CC(O)=O InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7) YYPNJNDODFVZLE-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Methyl-branched fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Aliphatic acyclic compounds Branched fatty acids alpha,beta-unsaturated monocarboxylic acid methyl-branched fatty acid monounsaturated fatty acid short-chain fatty acid Solid melting_point 65 °C water_solubility 10 mg/mL logp 0.79 ALOGPS logs -0.15 ALOGPS logp 1.16 ChemAxon pka_strongest_acidic 5.02 ChemAxon iupac 3-methylbut-2-enoic acid ChemAxon average_mass 100.1158 ChemAxon mono_mass 100.0524295 ChemAxon smiles CC(C)=CC(O)=O ChemAxon formula C5H8O2 ChemAxon inchi InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7) ChemAxon inchikey YYPNJNDODFVZLE-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 27.25 ChemAxon polarizability 10.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 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::NmrTwoD 1344 Specdb::CMs 16445 Specdb::CMs 37581 Specdb::CMs 171684 Specdb::CMs 1064545 Specdb::MsIr 578 Specdb::MsIr 579 Specdb::MsIr 580 Specdb::MsMs 728 Specdb::MsMs 729 Specdb::MsMs 730 Specdb::MsMs 302353 Specdb::MsMs 302354 Specdb::MsMs 302355 Specdb::MsMs 345064 Specdb::MsMs 345065 Specdb::MsMs 345066 Specdb::MsMs 2753806 Specdb::MsMs 2753807 Specdb::MsMs 2753808 Specdb::MsMs 2951106 Specdb::MsMs 2951107 Specdb::MsMs 2951108 Specdb::NmrOneD 1400 10468 FDB000736 10931 37127 C00010280 5495 Iordache, Florin; Badica, Sonia; Ionescu, Alina; Badea, Florin. Synthesis of b,b-dimethylacrylic acid and its methyl and ethyl esters. Revistade Chimie (Bucharest, Romania) (1979), 30(7), 629-32.