20673079 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 47 48 49 50 51 52 8 8 8 8 8 8 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 1 2 2 3 4 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 14 15 15 15 16 16 16 19 19 19 20 20 20 21 21 22 22 23 23 24 24 17 19 18 20 17 18 21 23 22 24 8 9 13 25 10 14 26 11 15 27 12 16 28 12 17 29 18 30 31 32 33 34 35 36 37 38 39 40 41 42 21 43 44 22 45 46 23 47 24 48 49 50 51 52 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 8 9 13 25 3 1 8 7 10 14 26 3 1 9 7 11 15 27 3 1 10 8 12 16 28 3 1 11 9 12 17 29 3 1 12 10 11 18 30 3 1 21 5 19 23 47 3 1 22 6 20 24 48 3 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 47 48 49 50 51 52 4.732 8.1962 5.5981 6.4641 2.5 9.5622 7.3301 8.1962 6.4641 8.1962 6.4641 7.3301 7.3301 9.0622 5.5981 9.0622 5.5981 7.3301 3.866 8.1962 3 9.0622 2 10.0622 7.8671 8.7331 6.4641 8.1962 7.001 6.7932 6.7101 7.3301 7.9501 8.7522 9.5991 9.3722 5.2881 5.0611 5.9081 9.3722 9.5991 8.7522 4.2646 3.4675 7.9841 7.5856 3.4384 8.6238 1.8923 1.4174 10.1698 10.6448 -0.933 1.067 0.567 1.067 -1.799 3.433 -2.433 -1.933 -1.933 -0.933 -0.933 -0.433 -3.433 -2.433 -2.433 -0.433 -0.433 0.567 -0.433 2.067 -0.933 2.567 -0.933 2.567 -2.743 -1.623 -2.553 -0.313 -1.243 -0.123 -3.433 -4.053 -3.433 -2.97 -2.743 -1.8961 -1.8961 -2.743 -2.97 -0.9699 -0.123 0.1039 0.0419 0.0419 2.6496 1.9593 -1.3714 3.0054 -0.3224 -1.1451 1.9564 2.779 3 3 3 3 3 3 3 3 7 8 9 10 11 12 21 22 13 14 15 16 17 18 19 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 448 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0783800000000000000000000001224000000000000300000000000000000000000001A00000000000D14A08002020800000400080000900800000000000000000001000000010012000000020000050000020001CBC8F08E80000000000000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 bis(oxiran-2-ylmethyl) 3,4,5,6-tetramethylcyclohexane-1,2-dicarboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4,5,6-tetramethylcyclohexane-1,2-dicarboxylic acid bis(2-oxiranylmethyl) ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 bis(oxiran-2-ylmethyl) 3,4,5,6-tetramethylcyclohexane-1,2-dicarboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 bis(oxiran-2-ylmethyl) 3,4,5,6-tetramethylcyclohexane-1,2-dicarboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 bis(oxiran-2-ylmethyl) 3,4,5,6-tetramethylcyclohexane-1,2-dicarboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4,5,6-tetramethylcyclohexane-1,2-dicarboxylic acid diglycidyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H28O6/c1-9-10(2)12(4)16(18(20)24-8-14-6-22-14)15(11(9)3)17(19)23-7-13-5-21-13/h9-16H,5-8H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OSNFYYRZEBHNNZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.18858861 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H28O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1C(C(C(C(C1C)C(=O)OCC2CO2)C(=O)OCC3CO3)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1C(C(C(C(C1C)C(=O)OCC2CO2)C(=O)OCC3CO3)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 77.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.18858861 24 8 0 8 0 0 0 0 1 -1