1.0 2010-04-08 22:12:38 UTC 2019-11-26 03:13:44 UTC FDB016763 (E)-11-Hexadecenoic acid Isolated from Chrysanthemum vulgare (tansy). (E)-11-Hexadecenoic acid is found in herbs and spices. C16H30O2 254.4082 254.224580204 (11E)-hexadec-11-enoic acid (11E)-hexadec-11-enoic acid 73292-39-4 CCCC\C=C\CCCCCCCCCC(O)=O InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+ JGMYDQCXGIMHLL-AATRIKPKSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds 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 Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Unsaturated fatty acids logp 6.71 ALOGPS logs -5.76 ALOGPS solubility 4.47e-04 g/l ALOGPS logp 5.89 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac (11E)-hexadec-11-enoic acid ChemAxon average_mass 254.4082 ChemAxon mono_mass 254.224580204 ChemAxon smiles CCCC\C=C\CCCCCCCCCC(O)=O ChemAxon formula C16H30O2 ChemAxon inchi InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+ ChemAxon inchikey JGMYDQCXGIMHLL-AATRIKPKSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 78.2 ChemAxon polarizability 33.38 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15955 Specdb::CMs 45502 Specdb::CMs 134243 Specdb::CMs 141977 Specdb::MsMs 87750 Specdb::MsMs 87751 Specdb::MsMs 87752 Specdb::MsMs 150318 Specdb::MsMs 150319 Specdb::MsMs 150320 Specdb::MsMs 2319791 Specdb::MsMs 2319792 Specdb::MsMs 2319793 Specdb::MsMs 2618447 Specdb::MsMs 2618448 Specdb::MsMs 2618449 HMDB37647 #<Reference:0x000055ce33104e18> Herbs and Spices Unknown generic Milk (Cow) Type 2 specific