247563 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 2 4 5 3 6 7 14 8 13 12 15 11 16 9 18 10 17 11 20 12 19 22 21 23 24 25 26 27 28 32 33 34 29 30 31 35 36 37 38 39 40 44 45 46 41 42 43 1 1 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 3.732 3.732 2.866 4.5981 2.866 4.5981 2.866 4.5981 3.732 3.732 4.5981 2.866 5.4641 2 2 5.4641 5.4641 2 3.732 3.732 2.3291 5.135 5.1541 6.001 5.7741 2.31 1.4631 1.69 5.7741 6.001 5.1541 1.69 1.4631 2.31 5.7741 6.001 5.1541 1.69 1.4631 2.31 3.112 3.732 4.352 4.352 3.732 3.112 0.5 -0.5 -1 1 1 -1 -2 2 -2.5 2.5 -2 2 0.5 -0.5 0.5 -0.5 2.5 -2.5 3.5 -3.5 2.31 -2.31 -0.0369 0.19 1.0369 0.0369 -0.19 -1.0369 -1.0369 -0.19 0.0369 1.0369 0.19 -0.0369 1.9631 2.81 3.0369 -1.9631 -2.81 -3.0369 -3.5 -4.12 -3.5 3.5 4.12 3.5 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 4 5 6 7 8 9 10 4 5 3 6 7 8 12 11 9 10 11 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 288 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371E0780000000000000000000000000000000000000000306000000000000000014000001800000000000C008018003200800000008002204200000200002000000088000000880820228011108020002080000888070080C00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 1,2,3,5-tetramethyl-4-(2,3,4,6-tetramethylphenyl)benzene IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 1,2,3,5-tetramethyl-4-(2,3,4,6-tetramethylphenyl)benzene IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 1,2,3,5-tetramethyl-4-(2,3,4,6-tetramethylphenyl)benzene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 1,2,3,5-tetramethyl-4-(2,3,4,6-tetramethylphenyl)benzene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 1,2,3,5-tetramethyl-4-(2,3,4,6-tetramethylphenyl)benzene InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C20H26/c1-11-9-13(3)19(17(7)15(11)5)20-14(4)10-12(2)16(6)18(20)8/h9-10H,1-8H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 MKRONAYRYHSNEU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.04.04 7.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 266.203451 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C20H26 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 266.42044 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 CC1=CC(=C(C(=C1C2=C(C(=C(C=C2C)C)C)C)C)C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 CC1=CC(=C(C(=C1C2=C(C(=C(C=C2C)C)C)C)C)C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 266.203451 20 0 0 0 0 0 0 0 1 1