1.0 2010-04-08 22:13:13 UTC 2019-11-26 03:14:59 UTC FDB017638 xi-3-Methylpentacosane Isolated from hop oil (Humulus lupulus) and orange oil (Citrus sinensis). xi-3-Methylpentacosane is found in alcoholic beverages and citrus. C26H54 366.707 366.422551728 3-methylpentacosane 3-methylpentacosane CCCCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3 VNSJCJLDAGMPAO-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 10.75 ALOGPS logs -7.96 ALOGPS solubility 4.01e-06 g/l ALOGPS logp 11.86 ChemAxon iupac 3-methylpentacosane ChemAxon average_mass 366.707 ChemAxon mono_mass 366.422551728 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C26H54 ChemAxon inchi InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3 ChemAxon inchikey VNSJCJLDAGMPAO-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 121.38 ChemAxon polarizability 54.4 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11799 Specdb::CMs 159611 Specdb::MsMs 6863 Specdb::MsMs 6864 Specdb::MsMs 6865 Specdb::MsMs 13535 Specdb::MsMs 13536 Specdb::MsMs 13537 Specdb::MsMs 2355822 Specdb::MsMs 2355823 Specdb::MsMs 2355824 Specdb::MsMs 2607276 Specdb::MsMs 2607277 Specdb::MsMs 2607278 HMDB38309 #<Reference:0x000055ce32df5c90> Alcoholic beverages Unknown generic Citrus Unknown generic