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2,6-Di-tert-butylhydroquinone

PubChem CID: 75550

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Compound Synonyms 2,6-Di-tert-butylhydroquinone, 2444-28-2, 2,6-di-tert-butylbenzene-1,4-diol, 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 2,6-Di-tert-butyl-1,4-benzenediol, 2,6-Di-tert-butyl-hydroquinone, 2,6-ditert-butylbenzene-1,4-diol, RW7RBM89DC, Hydroquinone, 2,6-di-tert-butyl-, EINECS 219-481-5, 2,6-di-t-butylhydroquinone, 2,6-Di-tert-butyl-1,4-dihydroxybenzene, DTXSID5062423, 2,6-DI-TERT-BUTYL-P-HYDROQUINONE, 2,6-DI-TERT-BUTYLBENZOHYDROQUINONE, 2,6-DI-TERT-BUTYL-1,4-HYDROQUINONE, 3,5-DI-TERT-BUTYL-1,4-HYDROQUINONE, 2,6-Bis(1,1-dimethylethyl)-1,4-Benzenediol, UNII-RW7RBM89DC, 2,6-Bis(1,1-dimethylethyl)-1,4-benzenediol (Technical Grade), 2,5-ditertbutylhydroquinone, Oprea1_865590, SCHEMBL39962, 2,6-di(t-butyl)hydroquinone, 3,5-Di-tert-butylhydroquinone, CHEMBL375695, GTPL5486, 2,6-di tert.butyl hydroquinone, 2,6-di-tert.butyl-hydroquinone, DTXCID5037078, CHEBI:174144, CAA44428, MFCD00458424, STK365476, AKOS005442455, 2,6-Ditert-butyl-1,4-benzenediol #, SY264943, CS-0260246, NS00027659, G81049, EN300-7472373, 2,6-Bis(1,1-dimethylethyl)-1,4-benzenediol, 9CI, Q27075212, 219-481-5
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 16.0
Description Isolated from ginseng roots. 2,6-Di-tert-butyl-1,4-benzenediol is found in tea.
Isotope Atom Count 0.0
Molecular Complexity 210.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,6-ditert-butylbenzene-1,4-diol
Prediction Hob 1.0
Xlogp 4.6
Molecular Formula C14H22O2
Prediction Swissadme 1.0
Inchi Key JFGVTUJBHHZRAB-UHFFFAOYSA-N
Fcsp3 0.5714285714285714
Logs -4.057
Rotatable Bond Count 2.0
Logd 3.738
Synonyms 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 2,6-Bis(1,1-dimethylethyl)-1,4-benzenediol, 2,6-Bis(1,1-dimethylethyl)-1,4-benzenediol, 9CI, 2,6-Di-tert-butyl-hydroquinone, 2,6-di-tert-butylbenzene-1,4-diol, 2,6-Di-tert-butylhydroquinone, Hydroquinone, 2,6-di-tert-butyl-
Compound Name 2,6-Di-tert-butylhydroquinone
Prediction Hob Swissadme 1.0
Exact Mass 222.162
Formal Charge 0.0
Monoisotopic Mass 222.162
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 222.32
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.2304336
Inchi InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3
Smiles CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)O
Nring 1.0
Defined Bond Stereocenter Count 0.0

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