1.0 2018-06-25 21:49:38 UTC 2020-04-22 15:51:23 UTC BMDB0062086 BMDB62086 3-Decenoic acid 3-Decenoic acid, also known as 3-decenoate, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 3-Decenoic acid exists as a liquid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. 3-Decenoate (3E)-3-Decenoic acid 3Z-Decenoate C10H18O2 170.2487 170.13067982 (3Z)-dec-3-enoic acid (3Z)-dec-3-enoic acid 15469-77-9 [H]\C(CCCCCC)=C(/[H])CC(O)=O InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7- CPVUNKGURQKKKX-FPLPWBNLSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Aliphatic acyclic compounds Unsaturated fatty acids logp 3.89 ALOGPS logs -3.14 ALOGPS logp 3.23 ChemAxon pka_strongest_acidic 4.83 ChemAxon iupac (3Z)-dec-3-enoic acid ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles [H]\C(CCCCCC)=C(/[H])CC(O)=O ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7- ChemAxon inchikey CPVUNKGURQKKKX-FPLPWBNLSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 50.59 ChemAxon polarizability 20.82 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 11067 Specdb::CMs 42303 Specdb::CMs 148456 Specdb::MsIr 4055 Specdb::MsIr 4056 Specdb::MsIr 4057 Specdb::MsMs 106266 Specdb::MsMs 106267 Specdb::MsMs 106268 Specdb::MsMs 172953 Specdb::MsMs 172954 Specdb::MsMs 172955 Specdb::MsMs 2408752 Specdb::MsMs 2408753 Specdb::MsMs 2408754 Specdb::MsMs 2554399 Specdb::MsMs 2554400 Specdb::MsMs 2554401 Milk Whole milk GARTON GA: THE COMPOSITION AND BIOSYNTHESIS OF MILK LIPIDS. J Lipid Res. 1963 Jul;4:237-54. 14168161 Milk Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 FDB002990 4471775 5312350 Cis-2-Decenoic acid Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684