1.0 2016-05-22 04:56:38 UTC 2026-08-19 06:59:28 UTC 2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione SmallMolecule 2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione is an organic compound with the formula C14H20O2 and an average molecular weight of 220.31 g/mol. 2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance has been found in or released from one recorded source: food, food processing & cookware (food contact materials). Recorded exposure routes for this compound include inhalation, oral, and touch. C14H20O2 220.312 220.146329884 2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione 2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione 2460-77-7 CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3 ZZYASVWWDLJXIM-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds P-benzoquinones Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxide P-benzoquinone Aliphatic homomonocyclic compounds Detected and Not Quantified logp 3.4 logp 4.34 ALOGPS logs -3.29 ALOGPS solubility 1.14e-01 g/l ALOGPS logp 3.88 ChemAxon pka_strongest_basic -8.1 ChemAxon iupac 2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 220.312 ChemAxon mono_mass 220.146329884 ChemAxon smiles CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C ChemAxon formula C14H20O2 ChemAxon inchi InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3 ChemAxon inchikey ZZYASVWWDLJXIM-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 66.99 ChemAxon polarizability 25.46 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf81c9f68> 17161 16245