1.0 2010-04-08 22:14:40 UTC 2019-11-26 03:18:03 UTC FDB019917 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate Constituent of the oil of Anthemis nobilis (Roman chamomile). 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices. 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate C10H18O3 186.2481 186.125594442 3-methylbutyl 3-hydroxy-2-methylidenebutanoate 3-methylbutyl 3-hydroxy-2-methylidenebutanoate 80758-72-1 CC(C)CCOC(=O)C(=C)C(C)O InChI=1S/C10H18O3/c1-7(2)5-6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3 URBTVTZTLQVLCO-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 2.06 ALOGPS logs -1.57 ALOGPS solubility 4.99e+00 g/l ALOGPS logp 2.05 ChemAxon pka_strongest_acidic 14.67 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3-methylbutyl 3-hydroxy-2-methylidenebutanoate ChemAxon average_mass 186.2481 ChemAxon mono_mass 186.125594442 ChemAxon smiles CC(C)CCOC(=O)C(=C)C(C)O ChemAxon formula C10H18O3 ChemAxon inchi InChI=1S/C10H18O3/c1-7(2)5-6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3 ChemAxon inchikey URBTVTZTLQVLCO-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 51.03 ChemAxon polarizability 21.39 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8771 Specdb::MsIr 8772 Specdb::MsIr 8773 Specdb::CMs 10733 Specdb::CMs 46708 Specdb::CMs 173670 Specdb::MsMs 289636 Specdb::MsMs 289637 Specdb::MsMs 289638 Specdb::MsMs 329110 Specdb::MsMs 329111 Specdb::MsMs 329112 Specdb::MsMs 2423174 Specdb::MsMs 2423175 Specdb::MsMs 2423176 Specdb::MsMs 2513177 Specdb::MsMs 2513178 Specdb::MsMs 2513179 Specdb::NmrOneD 39022 Specdb::NmrOneD 39023 Specdb::NmrOneD 39024 Specdb::NmrOneD 39025 Specdb::NmrOneD 39026 Specdb::NmrOneD 39027 Specdb::NmrOneD 39028 Specdb::NmrOneD 39029 Specdb::NmrOneD 39030 Specdb::NmrOneD 39031 Specdb::NmrOneD 39032 Specdb::NmrOneD 39033 Specdb::NmrOneD 39034 Specdb::NmrOneD 39035 Specdb::NmrOneD 39036 Specdb::NmrOneD 39037 Specdb::NmrOneD 39038 Specdb::NmrOneD 39039 Specdb::NmrOneD 39040 Specdb::NmrOneD 39041 HMDB40205 #<Reference:0x000055ce31758fa0> Herbs and Spices Unknown generic