1.0 2010-04-08 22:10:03 UTC 2019-11-26 03:06:26 UTC FDB012229 Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate Isolated from roots of Artemisia vulgaris (mugwort) and Anthemis nobilis (Roman chamomile). Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate is found in herbs and spices. Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate C11H10O2S 206.261 206.040150254 methyl (2E)-5-(5-methylthiophen-2-yl)pent-2-en-4-ynoate methyl (2E)-5-(5-methylthiophen-2-yl)pent-2-en-4-ynoate COC(=O)\C=C\C#CC1=CC=C(C)S1 InChI=1S/C11H10O2S/c1-9-7-8-10(14-9)5-3-4-6-11(12)13-2/h4,6-8H,1-2H3/b6-4+ OZOCRDZZSOSJCJ-GQCTYLIASA-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 3.61 ALOGPS logs -4.28 ALOGPS solubility 1.07e-02 g/l ALOGPS logp 3.47 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl (2E)-5-(5-methylthiophen-2-yl)pent-2-en-4-ynoate ChemAxon average_mass 206.261 ChemAxon mono_mass 206.040150254 ChemAxon smiles COC(=O)\C=C\C#CC1=CC=C(C)S1 ChemAxon formula C11H10O2S ChemAxon inchi InChI=1S/C11H10O2S/c1-9-7-8-10(14-9)5-3-4-6-11(12)13-2/h4,6-8H,1-2H3/b6-4+ ChemAxon inchikey OZOCRDZZSOSJCJ-GQCTYLIASA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.41 ChemAxon polarizability 22.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6393 Specdb::MsIr 6394 Specdb::CMs 23432 Specdb::CMs 158776 Specdb::MsMs 49626 Specdb::MsMs 49627 Specdb::MsMs 49628 Specdb::MsMs 175617 Specdb::MsMs 175618 Specdb::MsMs 175619 Specdb::MsMs 2394814 Specdb::MsMs 2394815 Specdb::MsMs 2394816 Specdb::MsMs 2540066 Specdb::MsMs 2540067 Specdb::MsMs 2540068 HMDB33995 #<Reference:0x000055ce32880148> Herbs and Spices Unknown generic