1.0 2010-04-08 22:06:19 UTC 2025-11-18 22:56:58 UTC FDB004631 4-Methylheptadecane 4-Methylheptadecane is a member of the class of compounds known as branched alkanes. Branched alkanes are acyclic branched hydrocarbons having the general formula CnH2n+2. Thus, 4-methylheptadecane is considered to be a hydrocarbon lipid molecule. 4-methylheptadecane can be found in a number of food items such as yellow bell pepper, red bell pepper, pepper (C. frutescens), and pepper (C. annuum), which makes 4-methylheptadecane a potential biomarker for the consumption of these food products. 4-Methylheptadecane C18H38 254.502 254.297351224 4-methylheptadecane 4-methylheptadecane CCCCCCCCCCCCCC(C)CCC InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h18H,4-17H2,1-3H3 YPPNOYRCEQRCHY-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 Hydrocarbons logp 9.23 ALOGPS logs -7.44 ALOGPS solubility 9.28e-06 g/l ALOGPS logp 8.31 ChemAxon iupac 4-methylheptadecane ChemAxon average_mass 254.502 ChemAxon mono_mass 254.297351224 ChemAxon smiles CCCCCCCCCCCCCC(C)CCC ChemAxon formula C18H38 ChemAxon inchi InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h18H,4-17H2,1-3H3 ChemAxon inchikey YPPNOYRCEQRCHY-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 84.57 ChemAxon polarizability 37.14 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 80037 Specdb::MsMs 80038 Specdb::MsMs 80039 Specdb::MsMs 140787 Specdb::MsMs 140788 Specdb::MsMs 140789 Specdb::MsMs 3600764 Specdb::MsMs 3600765 Specdb::MsMs 3600766 Specdb::MsMs 3600767 Specdb::MsMs 3600768 Specdb::MsMs 3600769 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