1.0 2010-04-08 22:05:38 UTC 2019-11-26 02:58:25 UTC FDB003068 16-Methylheptadecanoic acid Found in meats, liver and fats 16-methyl margaric acid 16-Methyl-heptadecanoic acid 2-Methylheptadecanoic acid Heptadecanoic acid, 16-methyl- Heptadecanoic acid, 2-methyl- Isooctadecanoic acid Isostearate Isostearic acid Lambda-isostearic acid C18H36O2 284.4772 284.271530396 16-methylheptadecanoic acid (+)-isostearic acid 2724-58-5 CC(C)CCCCCCCCCCCCCCC(O)=O InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20) XDOFQFKRPWOURC-UHFFFAOYSA-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 Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Long-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Branched fatty acids branched-chain saturated fatty acid long-chain fatty acid methyl-branched fatty acid logp 7.87 ALOGPS logs -6.50 ALOGPS solubility 9.01e-05 g/l ALOGPS melting_point Mp 69.5° logp 6.99 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac 16-methylheptadecanoic acid ChemAxon average_mass 284.4772 ChemAxon mono_mass 284.271530396 ChemAxon smiles CC(C)CCCCCCCCCCCCCCC(O)=O ChemAxon formula C18H36O2 ChemAxon inchi InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20) ChemAxon inchikey XDOFQFKRPWOURC-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 86.23 ChemAxon polarizability 38.37 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13991 Specdb::CMs 42340 Specdb::CMs 173020 Specdb::MsMs 7568 Specdb::MsMs 7569 Specdb::MsMs 7570 Specdb::MsMs 14240 Specdb::MsMs 14241 Specdb::MsMs 14242 Specdb::MsMs 2672936 Specdb::MsMs 2672937 Specdb::MsMs 2672938 Specdb::MsMs 3032744 Specdb::MsMs 3032745 Specdb::MsMs 3032746 HMDB31066 #<Reference:0x00007f093c0a80d8> Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus