1.02010-04-08 22:05:38 UTC2019-11-26 02:58:23 UTCFDB003039Avocadene 2-acetateConstituent of avocado (Persea americana). Avocadene 2-acetate is found in fruits.Avocadene 2-acetateC19H36O4328.4867328.261359641,4-dihydroxyheptadec-16-en-2-yl acetate1,4-dihydroxyheptadec-16-en-2-yl acetate51352-69-3CC(=O)OC(CO)CC(O)CCCCCCCCCCCC=CInChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h3,18-20,22H,1,4-16H2,2H3LUIGTZGBXWZJAX-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.Long-chain fatty alcoholsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty alcoholsAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty alcohol estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesPrimary alcoholsSecondary alcoholsAlcoholAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty alcohol esterHydrocarbon derivativeLong chain fatty alcoholMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundPrimary alcoholSecondary alcohollogp4.70logs-5.06solubility2.88e-03 g/llogp4.19pka_strongest_acidic14.53pka_strongest_basic-2.7iupac1,4-dihydroxyheptadec-16-en-2-yl acetateaverage_mass328.4867mono_mass328.26135964smilesCC(=O)OC(CO)CC(O)CCCCCCCCCCCC=CformulaC19H36O4inchiInChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h3,18-20,22H,1,4-16H2,2H3inchikeyLUIGTZGBXWZJAX-UHFFFAOYSA-Npolar_surface_area66.76refractivity94.13polarizability40.72rotatable_bond_count17acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::CMs18451Specdb::CMs42321Specdb::CMs172940Specdb::MsMs70668Specdb::MsMs70669Specdb::MsMs70670Specdb::MsMs129201Specdb::MsMs129202Specdb::MsMs129203Specdb::MsMs452029Specdb::MsMs452030Specdb::MsMs452031Specdb::MsMs2269456Specdb::MsMs2269457Specdb::MsMs2269458Specdb::MsMs3073410Specdb::MsMs3073411Specdb::MsMs3073412HMDB31044#<Reference:0x0000555673fb2da8>FruitsUnknowngeneric