1.0 2010-04-08 22:10:42 UTC 2019-11-26 03:08:24 UTC FDB013428 Methyl (Z)-5-(1-propynyl)-2-thienylacrylate Isolated from Tanacetum vulgare (tansy). Methyl (Z)-5-(1-propynyl)-2-thienylacrylate is found in herbs and spices. Methyl (Z)-3-[5-(1-propynyl)-2-thienyl]-2-propenoate Methyl (Z)-5-(1-propynyl)-2-thienylacrylate C11H10O2S 206.261 206.040150254 methyl (2Z)-3-[5-(prop-1-yn-1-yl)thiophen-2-yl]prop-2-enoate methyl (2Z)-3-[5-(prop-1-yn-1-yl)thiophen-2-yl]prop-2-enoate 95-01-2 COC(=O)\C=C/C1=CC=C(S1)C#CC InChI=1S/C11H10O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-8H,1-2H3/b8-7- XXSPOWNRZKCIRF-FPLPWBNLSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aromatic heteromonocyclic compounds 2,5-disubstituted thiophenes Carbonyl compounds Enoate esters Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides 2,5-disubstituted thiophene Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Heteroaromatic compound Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Thiophene logp 3.41 ALOGPS logs -4.27 ALOGPS solubility 1.12e-02 g/l ALOGPS melting_point Mp 101° logp 3.55 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl (2Z)-3-[5-(prop-1-yn-1-yl)thiophen-2-yl]prop-2-enoate ChemAxon average_mass 206.261 ChemAxon mono_mass 206.040150254 ChemAxon smiles COC(=O)\C=C/C1=CC=C(S1)C#CC ChemAxon formula C11H10O2S ChemAxon inchi InChI=1S/C11H10O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-8H,1-2H3/b8-7- ChemAxon inchikey XXSPOWNRZKCIRF-FPLPWBNLSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.18 ChemAxon polarizability 22.4 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23618 Specdb::CMs 132265 Specdb::CMs 139999 Specdb::MsIr 6707 Specdb::MsIr 6708 Specdb::MsMs 97545 Specdb::MsMs 97546 Specdb::MsMs 97547 Specdb::MsMs 162288 Specdb::MsMs 162289 Specdb::MsMs 162290 Specdb::MsMs 2292162 Specdb::MsMs 2292163 Specdb::MsMs 2292164 Specdb::MsMs 2646021 Specdb::MsMs 2646022 Specdb::MsMs 2646023 HMDB34858 #<Reference:0x000055ce3219a2e8> Herbs and Spices Unknown generic