1.0 2010-04-08 22:14:40 UTC 2019-11-26 03:18:03 UTC FDB019916 2-Methylbutyl 3-hydroxy-2-methylidenebutanoate Constituent of the oil of Anthemis nobilis (Roman chamomile). 2-Methylbutyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices. 2-Methylbutyl 3-hydroxy-2-methylidenebutanoate C10H18O3 186.2481 186.125594442 2-methylbutyl 3-hydroxy-2-methylidenebutanoate 2-methylbutyl 3-hydroxy-2-methylidenebutanoate 80758-69-6 CCC(C)COC(=O)C(=C)C(C)O InChI=1S/C10H18O3/c1-5-7(2)6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3 BAAJXLRVWJHRQH-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Beta hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.25 ALOGPS logs -1.57 ALOGPS solubility 4.97e+00 g/l ALOGPS logp 2.13 ChemAxon pka_strongest_acidic 14.67 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-methylbutyl 3-hydroxy-2-methylidenebutanoate ChemAxon average_mass 186.2481 ChemAxon mono_mass 186.125594442 ChemAxon smiles CCC(C)COC(=O)C(=C)C(C)O ChemAxon formula C10H18O3 ChemAxon inchi InChI=1S/C10H18O3/c1-5-7(2)6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3 ChemAxon inchikey BAAJXLRVWJHRQH-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 50.96 ChemAxon polarizability 21.27 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16274 Specdb::CMs 46707 Specdb::CMs 161055 Specdb::MsMs 302053 Specdb::MsMs 302054 Specdb::MsMs 302055 Specdb::MsMs 344683 Specdb::MsMs 344684 Specdb::MsMs 344685 Specdb::MsMs 2699318 Specdb::MsMs 2699319 Specdb::MsMs 2699320 Specdb::MsMs 3005592 Specdb::MsMs 3005593 Specdb::MsMs 3005594 Specdb::NmrOneD 39002 Specdb::NmrOneD 39003 Specdb::NmrOneD 39004 Specdb::NmrOneD 39005 Specdb::NmrOneD 39006 Specdb::NmrOneD 39007 Specdb::NmrOneD 39008 Specdb::NmrOneD 39009 Specdb::NmrOneD 39010 Specdb::NmrOneD 39011 Specdb::NmrOneD 39012 Specdb::NmrOneD 39013 Specdb::NmrOneD 39014 Specdb::NmrOneD 39015 Specdb::NmrOneD 39016 Specdb::NmrOneD 39017 Specdb::NmrOneD 39018 Specdb::NmrOneD 39019 Specdb::NmrOneD 39020 Specdb::NmrOneD 39021 HMDB40204 #<Reference:0x000055ce31d57b68> Herbs and Spices Unknown generic