1.0 2010-04-08 22:09:17 UTC 2019-11-26 03:04:05 UTC FDB010763 Methyl 15-cyanopentadecanoate Constituent of the leaves of Moringa oleifera (horseradish tree). Methyl 15-cyanopentadecanoate is found in fats and oils, herbs and spices, and green vegetables. Methyl 15-cyanopentadecanoate C17H31NO2 281.4335 281.235479241 methyl 15-cyanopentadecanoate methyl 15-cyanopentadecanoate COC(=O)CCCCCCCCCCCCCCC#N InChI=1S/C17H31NO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-15H2,1H3 NWDLYWNGKGFCQE-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Fatty acid methyl esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Nitriles Organic oxides Organopnictogen compounds Aliphatic acyclic compound Carbonitrile Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid methyl ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Nitrile Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 6.56 ALOGPS logs -4.57 ALOGPS solubility 7.52e-03 g/l ALOGPS logp 5.14 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl 15-cyanopentadecanoate ChemAxon average_mass 281.4335 ChemAxon mono_mass 281.235479241 ChemAxon smiles COC(=O)CCCCCCCCCCCCCCC#N ChemAxon formula C17H31NO2 ChemAxon inchi InChI=1S/C17H31NO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-15H2,1H3 ChemAxon inchikey NWDLYWNGKGFCQE-UHFFFAOYSA-N ChemAxon polar_surface_area 50.09 ChemAxon refractivity 82.5 ChemAxon polarizability 36.41 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10601 Specdb::CMs 173706 Specdb::MsMs 67491 Specdb::MsMs 67492 Specdb::MsMs 67493 Specdb::MsMs 125331 Specdb::MsMs 125332 Specdb::MsMs 125333 Specdb::MsMs 2717883 Specdb::MsMs 2717884 Specdb::MsMs 2717885 Specdb::MsMs 2963676 Specdb::MsMs 2963677 Specdb::MsMs 2963678 HMDB32791 #<Reference:0x00005577f6775b28> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic