1.0 2010-04-08 22:13:52 UTC 2019-11-26 03:16:29 UTC FDB018683 Bovolide Constituent of peppermint oil. Bovolide is found in peppermint and herbs and spices. 2(5H)-Furanone, 3,4-dimethyl-5-pentylidene- 3,4-dimethyl-5-pentylidene-2(5H)-furanone Bovolide C11H16O2 180.2435 180.115029756 (5E)-3,4-dimethyl-5-pentylidene-2,5-dihydrofuran-2-one (5E)-3,4-dimethyl-5-pentylidenefuran-2-one 774-64-1 CCCC\C=C1\OC(=O)C(C)=C1C InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3/b10-7+ MTQPZHNZYWAXEH-JXMROGBWSA-N belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Butenolides Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteromonocyclic compounds Carbonyl compounds Enoate esters Enol esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2-furanone Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Enol ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 3.54 ALOGPS logs -2.25 ALOGPS solubility 1.01e+00 g/l ALOGPS logp 3.12 ChemAxon pka_strongest_basic -7 ChemAxon iupac (5E)-3,4-dimethyl-5-pentylidene-2,5-dihydrofuran-2-one ChemAxon average_mass 180.2435 ChemAxon mono_mass 180.115029756 ChemAxon smiles CCCC\C=C1\OC(=O)C(C)=C1C ChemAxon formula C11H16O2 ChemAxon inchi InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3/b10-7+ ChemAxon inchikey MTQPZHNZYWAXEH-JXMROGBWSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.13 ChemAxon polarizability 21.34 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15549 Specdb::CMs 175378 Specdb::MsMs 61908 Specdb::MsMs 61909 Specdb::MsMs 61910 Specdb::MsMs 118530 Specdb::MsMs 118531 Specdb::MsMs 118532 Specdb::MsMs 2377792 Specdb::MsMs 2377793 Specdb::MsMs 2377794 Specdb::MsMs 2561826 Specdb::MsMs 2561827 Specdb::MsMs 2561828 Specdb::MsIr 8109 Specdb::MsIr 8110 HMDB39159 #<Reference:0x000055ce2f37ccd0> Herbs and Spices Unknown generic Peppermint Type 1 specific Mentha X piperita 34256 0.00055 0.00055 0.00055 mg/100 g herbal minty spicy