1.0 2010-04-08 22:05:14 UTC 2020-02-24 19:10:25 UTC FDB002119 6-Propyltridecane Constituent of the esential oil of the peel of Juglans nigra (black walnut). 6-Propyltridecane is found in black walnut and nuts. C16H34 226.4412 226.266051088 6-propyltridecane 6-propyltridecane 55045-10-8 CCCCCCCC(CCC)CCCCC InChI=1S/C16H34/c1-4-7-9-10-12-15-16(13-6-3)14-11-8-5-2/h16H,4-15H2,1-3H3 HMKBVDFFYNUAKM-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 8.56 ALOGPS logs -7.03 ALOGPS solubility 2.12e-05 g/l ALOGPS logp 7.42 ChemAxon iupac 6-propyltridecane ChemAxon average_mass 226.4412 ChemAxon mono_mass 226.266051088 ChemAxon smiles CCCCCCCC(CCC)CCCCC ChemAxon formula C16H34 ChemAxon inchi InChI=1S/C16H34/c1-4-7-9-10-12-15-16(13-6-3)14-11-8-5-2/h16H,4-15H2,1-3H3 ChemAxon inchikey HMKBVDFFYNUAKM-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 75.37 ChemAxon polarizability 32.36 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18673 Specdb::CMs 151370 Specdb::MsMs 43731 Specdb::MsMs 43732 Specdb::MsMs 43733 Specdb::MsMs 158190 Specdb::MsMs 158191 Specdb::MsMs 158192 Specdb::MsMs 2420829 Specdb::MsMs 2420830 Specdb::MsMs 2420831 Specdb::MsMs 2544376 Specdb::MsMs 2544377 Specdb::MsMs 2544378 HMDB30284 #<Reference:0x000055ce32d34ea0> Black walnut Type 1 specific Juglans nigra 16719 500.0 500.0 500.0 mg/100 g Nuts Unknown generic