1.0 2018-07-17 17:24:50 UTC 2020-04-22 15:51:50 UTC BMDB0062273 BMDB62273 Cyclohexane Cyclohexane, also known as hexahydrobenzene or hexamethylene, belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains). Cyclohexane exists as a liquid, possibly soluble (in water), and possibly neutral molecule. Cyclohexane is a potentially toxic compound. Cyclohexan Hexahydrobenzene Hexamethylene Hexanaphthene hexahydro-Benzene C6H12 84.1595 84.093900384 cyclohexane cyclohexane 110-82-7 C1CCCCC1 InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 XDTMQSROBMDMFD-UHFFFAOYSA-N belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains). Organic compounds Hydrocarbons Saturated hydrocarbons Cycloalkanes Cycloalkanes Aliphatic homomonocyclic compound Cycloalkane Aliphatic homomonocyclic compounds a carbohydrate cycloalkane Liquid melting_point 6.5 °C water_solubility 0.055 mg/mL at 25 °C logp 3.44 logp 3.46 ALOGPS logs -3.33 ALOGPS logp 2.67 ChemAxon iupac cyclohexane ChemAxon average_mass 84.1595 ChemAxon mono_mass 84.093900384 ChemAxon smiles C1CCCCC1 ChemAxon formula C6H12 ChemAxon inchi InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 ChemAxon inchikey XDTMQSROBMDMFD-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 27.61 ChemAxon polarizability 11.07 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 143 Specdb::NmrOneD 2145 Specdb::NmrOneD 3452 Specdb::MsMs 7259 Specdb::MsMs 7260 Specdb::MsMs 7261 Specdb::MsMs 13931 Specdb::MsMs 13932 Specdb::MsMs 13933 Specdb::MsMs 2291694 Specdb::MsMs 2291695 Specdb::MsMs 2291696 Specdb::MsMs 2643936 Specdb::MsMs 2643937 Specdb::MsMs 2643938 Specdb::CMs 13002 Specdb::CMs 27067 Specdb::CMs 27161 Specdb::CMs 27239 Specdb::CMs 28500 Specdb::CMs 29971 Specdb::CMs 100346 Specdb::CMs 100347 Specdb::CMs 100348 Specdb::CMs 100349 Specdb::CMs 100350 Specdb::CMs 130925 Specdb::CMs 138659 Milk Raw milk, by NMR and GC-MS Antunes-Fernandes EC, van Gastelen S, Dijkstra J, Hettinga KA, Vervoort J: Milk metabolome relates enteric methane emission to milk synthesis and energy metabolism pathways. J Dairy Sci. 2016 Aug;99(8):6251-6262. doi: 10.3168/jds.2015-10248. Epub 2016 May 26. 27236769 7787 FDB000761 C00007453 8078 29005 C11249 CHX CPD-8923 Cyclohexane Antunes-Fernandes EC, van Gastelen S, Dijkstra J, Hettinga KA, Vervoort J: Milk metabolome relates enteric methane emission to milk synthesis and energy metabolism pathways. J Dairy Sci. 2016 Aug;99(8):6251-6262. doi: 10.3168/jds.2015-10248. Epub 2016 May 26. 27236769