1.0 2010-04-08 22:12:45 UTC 2019-11-26 03:14:00 UTC FDB016973 xi-2,5-Dimethyltridecane Constituent of pickled mustard tuber (Brassica juncea). xi-2,5-Dimethyltridecane is found in brassicas. C15H32 212.4146 212.250401024 2,5-dimethyltridecane 2,5-dimethyltridecane CCCCCCCCC(C)CCC(C)C InChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3 WHEITGBIIYGVLM-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 alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Aliphatic acyclic compound Branched alkane logp 8.10 ALOGPS logs -6.77 ALOGPS solubility 3.59e-05 g/l ALOGPS logp 6.82 ChemAxon iupac 2,5-dimethyltridecane ChemAxon average_mass 212.4146 ChemAxon mono_mass 212.250401024 ChemAxon smiles CCCCCCCCC(C)CCC(C)C ChemAxon formula C15H32 ChemAxon inchi InChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3 ChemAxon inchikey WHEITGBIIYGVLM-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 70.71 ChemAxon polarizability 30.41 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15486 Specdb::CMs 155769 Specdb::MsMs 44133 Specdb::MsMs 44134 Specdb::MsMs 44135 Specdb::MsMs 140763 Specdb::MsMs 140764 Specdb::MsMs 140765 Specdb::MsMs 2760212 Specdb::MsMs 2760213 Specdb::MsMs 2760214 Specdb::MsMs 2945916 Specdb::MsMs 2945917 Specdb::MsMs 2945918 HMDB37825 #<Reference:0x000055ce32655e18> Brassicas Unknown generic 3705