20627478 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 74 74 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 11 11 11 12 12 13 14 14 15 3 4 10 30 13 31 6 7 8 9 11 16 17 10 12 18 19 20 21 22 23 14 24 25 26 13 27 15 15 28 29 6 6 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 2 6.3301 2.866 6.3301 4.5981 4.5981 4.5981 5.5981 3.5981 3.732 5.4641 5.4641 5.4641 3.732 4.5981 4.386 3.9875 5.5981 6.2181 5.5981 3.5981 2.9781 3.5981 5.7741 6.001 5.1541 6.001 3.1951 4.5981 2.866 6.8671 -0.25 -2.75 0.25 -1.75 1.25 2.25 0.25 1.25 1.25 -0.25 2.75 -0.25 -1.25 -1.25 -1.75 2.8326 2.1423 0.63 1.25 1.87 1.87 1.25 0.63 2.2131 3.06 3.2869 0.06 -1.56 -2.37 0.87 -1.44 8 8 8 8 8 8 7 7 10 12 13 14 10 12 14 13 15 15 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 174 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0703000000000000000004000000000000000000000300000000000000000010000001A00000800000E0480980032068000020080022042000002000020200008880006088808262282111280700024C011089807C0C0F00F81000100000800000200020000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(1,1-dimethylpropyl)benzene-1,4-diol;tungsten IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-tert-amylhydroquinone;tungsten InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H16O2.2W/c1-4-11(2,3)9-7-8(12)5-6-10(9)13;;/h5-7,12-13H,4H2,1-3H3;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PJMCKRFLMQNGJR-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 550.02033 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H16O2W2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 547.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(C)(C)C1=C(C=CC(=C1)O)O.[W].[W] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(C)(C)C1=C(C=CC(=C1)O)O.[W].[W] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 548.01690 15 0 0 0 0 0 0 0 3 -1