1.0 2010-04-08 22:06:52 UTC 2025-11-18 23:00:11 UTC FDB005827 3-Methyltridecane 3-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. Thus, 3-methyltridecane is considered to be a hydrocarbon lipid molecule. 3-methyltridecane can be found in black walnut, which makes 3-methyltridecane a potential biomarker for the consumption of this food product. Tridecane, 3-methyI- Tridecane, 3-methyl- C14H30 198.388 198.23475096 3-methyltridecane 3-methyltridecane CCCCCCCCCCC(C)CC InChI=1S/C14H30/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h14H,4-13H2,1-3H3 NLHRRMKILFRDGV-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 7.87 ALOGPS logs -6.58 ALOGPS solubility 5.18e-05 g/l ALOGPS logp 6.53 ChemAxon iupac 3-methyltridecane ChemAxon average_mass 198.388 ChemAxon mono_mass 198.23475096 ChemAxon smiles CCCCCCCCCCC(C)CC ChemAxon formula C14H30 ChemAxon inchi InChI=1S/C14H30/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h14H,4-13H2,1-3H3 ChemAxon inchikey NLHRRMKILFRDGV-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 66.16 ChemAxon polarizability 28.67 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65133 Specdb::MsMs 65134 Specdb::MsMs 65135 Specdb::MsMs 122469 Specdb::MsMs 122470 Specdb::MsMs 122471 Specdb::MsMs 3602165 Specdb::MsMs 3602166 Specdb::MsMs 3602167 Specdb::MsMs 3603302 Specdb::MsMs 3603303 Specdb::MsMs 3603304 Black walnut Type 1 specific Juglans nigra 16719 800.0 800.0 800.0 mg/100 g