1.0 2010-04-08 22:10:05 UTC 2019-11-26 03:06:30 UTC FDB012270 3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate Constituent of the pods of Moringa oleifera (horseradish tree). 3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate is found in fats and oils, herbs and spices, and green vegetables. 3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate C21H40O4 356.5399 356.292659768 3-[(2E)-hept-2-en-1-yloxy]-2-hydroxypropyl undecanoate 3-[(2E)-hept-2-en-1-yloxy]-2-hydroxypropyl undecanoate CCCCCCCCCCC(=O)OCC(O)COC\C=C\CCCC InChI=1S/C21H40O4/c1-3-5-7-9-10-11-12-14-16-21(23)25-19-20(22)18-24-17-15-13-8-6-4-2/h13,15,20,22H,3-12,14,16-19H2,1-2H3/b15-13+ AQZFORIMCWMRNP-FYWRMAATSA-N belongs to the class of organic compounds known as 1-alkyl,3-acylglycerols. These are glycerides consisting of two fatty acyl chains covalently bonded to a glycerol molecule at the 1- and 3-positions through an ether and an ester linkage, respectively. 1-alkyl,3-acylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Fatty acid esters Glycerol ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 1-alkyl,3-acylglycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 6.12 ALOGPS logs -5.82 ALOGPS solubility 5.35e-04 g/l ALOGPS logp 5.95 ChemAxon pka_strongest_acidic 13.66 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 3-[(2E)-hept-2-en-1-yloxy]-2-hydroxypropyl undecanoate ChemAxon average_mass 356.5399 ChemAxon mono_mass 356.292659768 ChemAxon smiles CCCCCCCCCCC(=O)OCC(O)COC\C=C\CCCC ChemAxon formula C21H40O4 ChemAxon inchi InChI=1S/C21H40O4/c1-3-5-7-9-10-11-12-14-16-21(23)25-19-20(22)18-24-17-15-13-8-6-4-2/h13,15,20,22H,3-12,14,16-19H2,1-2H3/b15-13+ ChemAxon inchikey AQZFORIMCWMRNP-FYWRMAATSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 104.49 ChemAxon polarizability 45.53 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10991 Specdb::CMs 43664 Specdb::CMs 131283 Specdb::CMs 139017 Specdb::MsMs 44712 Specdb::MsMs 44713 Specdb::MsMs 44714 Specdb::MsMs 125583 Specdb::MsMs 125584 Specdb::MsMs 125585 Specdb::MsMs 2378802 Specdb::MsMs 2378803 Specdb::MsMs 2378804 Specdb::MsMs 2556243 Specdb::MsMs 2556244 Specdb::MsMs 2556245 HMDB34031 #<Reference:0x000055ce3090ee40> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic