1.0 2010-04-08 22:07:13 UTC 2025-11-18 23:02:20 UTC FDB006608 4-Methyltriacontane 4-Methyltriacontane 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-methyltriacontane is considered to be a hydrocarbon lipid molecule. 4-Methyltriacontane can be found in pepper (spice), which makes 4-methyltriacontane a potential biomarker for the consumption of this food product. C31H64 436.853 436.500802061 4-methyltriacontane 4-methyltriacontane CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC InChI=1S/C31H64/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31(3)29-5-2/h31H,4-30H2,1-3H3 PDOXLYSOIKAFIT-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 11.11 ALOGPS logs -8.00 ALOGPS solubility 4.34e-06 g/l ALOGPS logp 14.09 ChemAxon iupac 4-methyltriacontane ChemAxon average_mass 436.853 ChemAxon mono_mass 436.500802061 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC ChemAxon formula C31H64 ChemAxon inchi InChI=1S/C31H64/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31(3)29-5-2/h31H,4-30H2,1-3H3 ChemAxon inchikey PDOXLYSOIKAFIT-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 144.38 ChemAxon polarizability 65.2 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57582 Specdb::MsMs 57583 Specdb::MsMs 57584 Specdb::MsMs 113292 Specdb::MsMs 113293 Specdb::MsMs 113294 Specdb::MsMs 3603137 Specdb::MsMs 3603138 Specdb::MsMs 3603139 Specdb::MsMs 3603140 Specdb::MsMs 3603141 Specdb::MsMs 3603142 Pepper (Spice) Type 1 specific Piper nigrum 13216