1.0 2010-04-08 22:07:57 UTC 2019-11-26 03:02:13 UTC FDB008176 4-Methyl-2-pentenoic acid Isolated from hops. 4-Methyl-2-pentenoic acid is found in alcoholic beverages. (2E)-4-methylpent-2-enoic acid 2-Pentenoic acid, 4-methyl- 2-pentenoic acid, 4-methyl-, (2E)- 3-isopropyl Acrylic Acid 3-Isopropylacrylic acid 4-Methyl-(2e)-2-pentenoic acid 4-Methylpent-2-en-1-oic acid C6H10O2 114.1424 114.068079564 (2Z)-4-methylpent-2-enoic acid (2Z)-4-methylpent-2-enoic acid 10321-71-8 CC(C)\C=C/C(O)=O InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3- QAOXMQCWUWZZNC-ARJAWSKDSA-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. Methyl-branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds 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 logp 1.63 ALOGPS logs -1.13 ALOGPS solubility 8.50e+00 g/l ALOGPS melting_point 35 oC logp 1.65 ChemAxon pka_strongest_acidic 5.12 ChemAxon iupac (2Z)-4-methylpent-2-enoic acid ChemAxon average_mass 114.1424 ChemAxon mono_mass 114.068079564 ChemAxon smiles CC(C)\C=C/C(O)=O ChemAxon formula C6H10O2 ChemAxon inchi InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3- ChemAxon inchikey QAOXMQCWUWZZNC-ARJAWSKDSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 32.11 ChemAxon polarizability 12.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11348 Specdb::CMs 42531 Specdb::CMs 135126 Specdb::CMs 142860 Specdb::MsIr 4633 Specdb::MsIr 4634 Specdb::MsIr 4635 Specdb::NmrOneD 111338 Specdb::NmrOneD 111339 Specdb::NmrOneD 111340 Specdb::NmrOneD 111341 Specdb::NmrOneD 111342 Specdb::NmrOneD 111343 Specdb::NmrOneD 111344 Specdb::NmrOneD 111345 Specdb::NmrOneD 111346 Specdb::NmrOneD 111347 Specdb::NmrOneD 111348 Specdb::NmrOneD 111349 Specdb::NmrOneD 111350 Specdb::NmrOneD 111351 Specdb::NmrOneD 111352 Specdb::NmrOneD 111353 Specdb::NmrOneD 111354 Specdb::NmrOneD 111355 Specdb::NmrOneD 111356 Specdb::NmrOneD 111357 Specdb::MsMs 291064 Specdb::MsMs 291065 Specdb::MsMs 291066 Specdb::MsMs 330871 Specdb::MsMs 330872 Specdb::MsMs 330873 Specdb::MsMs 2328900 Specdb::MsMs 2328901 Specdb::MsMs 2328902 Specdb::MsMs 2634140 Specdb::MsMs 2634141 Specdb::MsMs 2634142 HMDB31561 #<Reference:0x000055ce31650d10> Alcoholic beverages Unknown generic black tea fatty fruity