1.0 2010-04-08 22:07:45 UTC 2025-11-18 23:05:20 UTC FDB007727 2,2,4-Trimethylheptane 2,2,4-trimethylheptane is a member of the class of compounds known as branched alkanes. Branched alkanes are acyclic branched hydrocarbons having the general formula CnH2n+2. 2,2,4-trimethylheptane can be found in ginger, which makes 2,2,4-trimethylheptane a potential biomarker for the consumption of this food product. 2,2,4-Trimethylheptane C10H22 142.2817 142.172150704 2,2,4-trimethylheptane heptane, 2,2,4-trimethyl- 14720-74-2 CCCC(C)CC(C)(C)C InChI=1S/C10H22/c1-6-7-9(2)8-10(3,4)5/h9H,6-8H2,1-5H3 IIYGOARYARWJBO-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 5.52 ALOGPS logs -4.99 ALOGPS solubility 1.46e-03 g/l ALOGPS logp 4.45 ChemAxon iupac 2,2,4-trimethylheptane ChemAxon average_mass 142.2817 ChemAxon mono_mass 142.172150704 ChemAxon smiles CCCC(C)CC(C)(C)C ChemAxon formula C10H22 ChemAxon inchi InChI=1S/C10H22/c1-6-7-9(2)8-10(3,4)5/h9H,6-8H2,1-5H3 ChemAxon inchikey IIYGOARYARWJBO-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 47.58 ChemAxon polarizability 19.65 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71304 Specdb::MsMs 71305 Specdb::MsMs 71306 Specdb::MsMs 129948 Specdb::MsMs 129949 Specdb::MsMs 129950 Specdb::MsMs 3604301 Specdb::MsMs 3604302 Specdb::MsMs 3604303 Specdb::MsMs 3605440 Specdb::MsMs 3605441 Specdb::MsMs 3605442 Ginger Type 1 specific Zingiber officinale 94328 Sweet cherry Type 1 specific Prunus avium 42229