1.02010-04-08 22:12:45 UTC2019-11-26 03:14:00 UTCFDB016973xi-2,5-DimethyltridecaneConstituent of pickled mustard tuber (Brassica juncea). xi-2,5-Dimethyltridecane is found in brassicas.C15H32212.4146212.2504010242,5-dimethyltridecane2,5-dimethyltridecaneCCCCCCCCC(C)CCC(C)CInChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3WHEITGBIIYGVLM-UHFFFAOYSA-N belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.Branched alkanesOrganic compoundsHydrocarbonsSaturated hydrocarbonsAlkanesAliphatic acyclic compoundsAliphatic acyclic compoundBranched alkanelogp8.10logs-6.77solubility3.59e-05 g/llogp6.82iupac2,5-dimethyltridecaneaverage_mass212.4146mono_mass212.250401024smilesCCCCCCCCC(C)CCC(C)CformulaC15H32inchiInChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3inchikeyWHEITGBIIYGVLM-UHFFFAOYSA-Npolar_surface_area0refractivity70.71polarizability30.41rotatable_bond_count10acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs15486Specdb::CMs155769Specdb::MsMs44133Specdb::MsMs44134Specdb::MsMs44135Specdb::MsMs140763Specdb::MsMs140764Specdb::MsMs140765Specdb::MsMs2760212Specdb::MsMs2760213Specdb::MsMs2760214Specdb::MsMs2945916Specdb::MsMs2945917Specdb::MsMs2945918HMDB37825#<Reference:0x00005556755f2320>BrassicasUnknowngeneric3705