1.0 2010-04-08 22:06:20 UTC 2025-11-18 22:57:00 UTC FDB004635 4-Methyltridecane 4-methyltridecane is a member of the class of compounds known as branched alkanes. Branched alkanes are acyclic branched hydrocarbons having the general formula CnH2n+2. 4-methyltridecane can be found in a number of food items such as pepper (c. annuum), green bell pepper, red bell pepper, and pepper (c. frutescens), which makes 4-methyltridecane a potential biomarker for the consumption of these food products. Tridecane, 4-methyl- C14H30 198.388 198.23475096 4-methyltridecane 4-methyltridecane 26730-12-1 CCCCCCCCCC(C)CCC InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3 BPHJCXVZYVVFBT-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 7.87 ALOGPS logs -6.60 ALOGPS solubility 5.03e-05 g/l ALOGPS logp 6.53 ChemAxon iupac 4-methyltridecane ChemAxon average_mass 198.388 ChemAxon mono_mass 198.23475096 ChemAxon smiles CCCCCCCCCC(C)CCC ChemAxon formula C14H30 ChemAxon inchi InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3 ChemAxon inchikey BPHJCXVZYVVFBT-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 66.16 ChemAxon polarizability 28.61 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45468 Specdb::MsMs 45469 Specdb::MsMs 45470 Specdb::MsMs 155814 Specdb::MsMs 155815 Specdb::MsMs 155816 Specdb::MsMs 3600782 Specdb::MsMs 3600783 Specdb::MsMs 3600784 Specdb::MsMs 3601874 Specdb::MsMs 3601875 Specdb::MsMs 3601876 Green bell pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072