1.0 2010-04-08 22:06:20 UTC 2025-11-18 22:56:59 UTC FDB004633 4-Methylpentadecane 4-methylpentadecane 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-methylpentadecane can be found in a number of food items such as red bell pepper, green bell pepper, pepper (c. frutescens), and orange bell pepper, which makes 4-methylpentadecane a potential biomarker for the consumption of these food products. 4-methylpentadecane can be found primarily in saliva. Pentadecane, 4-methyl- C16H34 226.4412 226.266051088 4-methylpentadecane 4-methylpentadecane CCCCCCCCCCCC(C)CCC InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3 ODDVOCXSLXTIIU-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 8.63 ALOGPS logs -7.04 ALOGPS solubility 2.06e-05 g/l ALOGPS logp 7.42 ChemAxon iupac 4-methylpentadecane ChemAxon average_mass 226.4412 ChemAxon mono_mass 226.266051088 ChemAxon smiles CCCCCCCCCCCC(C)CCC ChemAxon formula C16H34 ChemAxon inchi InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3 ChemAxon inchikey ODDVOCXSLXTIIU-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 75.37 ChemAxon polarizability 32.87 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 34594 Specdb::CMs 162723 Specdb::MsMs 49074 Specdb::MsMs 49075 Specdb::MsMs 49076 Specdb::MsMs 113229 Specdb::MsMs 113230 Specdb::MsMs 113231 Specdb::MsMs 2732964 Specdb::MsMs 2732965 Specdb::MsMs 2732966 Specdb::MsMs 2972523 Specdb::MsMs 2972524 Specdb::MsMs 2972525 HMDB0061855 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