21660 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 8 8 8 8 8 8 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 2 2 3 3 4 4 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 16 17 17 18 18 19 19 20 20 13 17 14 18 15 19 16 20 13 14 8 9 14 21 10 13 22 12 25 26 11 23 24 12 27 28 29 30 17 19 32 18 20 31 33 34 35 36 39 40 37 38 1 1 1 1 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 7 8 9 14 21 3 1 8 7 10 13 22 3 1 15 3 17 19 32 3 1 16 4 18 20 31 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 4.732 8.1962 2.5 10.0622 5.5981 6.4641 7.3301 6.4641 8.1962 6.4641 7.3301 8.1962 5.5981 7.3301 3 9.0622 3.866 8.1962 2 9.5622 7.8671 6.4641 5.8535 6.252 8.8067 8.4082 6.9316 7.7287 8.4082 8.8067 9.2226 3.4384 4.2646 3.4675 7.9841 7.5856 10.0371 9.0872 1.8923 1.4174 -1.433 0.567 -2.299 2.067 0.067 0.567 -0.933 -1.433 -1.433 -2.433 -2.933 -2.433 -0.933 0.067 -1.433 2.067 -0.933 1.567 -1.433 2.933 -0.623 -0.813 -2.3253 -3.0156 -1.5407 -0.8504 -3.408 -3.408 -3.0156 -2.3253 1.4681 -1.8714 -0.4581 -0.4581 2.1496 1.4593 3.3315 3.3315 -0.8224 -1.6451 3 3 3 3 7 8 15 16 14 13 17 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 346 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0703800000000000000000000001224000000000000300000000000000000000000001A00000000000D14A08002000800000400080000900800000000000000000001000000010012000000020000050000020001CBC8A08E80000000000000000000000000200000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexane-1,2-dicarboxylic acid bis(2-oxiranylmethyl) ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexane-1,2-dicarboxylic acid diglycidyl ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XFUOBHWPTSIEOV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 284.125988 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H20O6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 284.305 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 77.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 284.125988 20 4 0 4 0 0 0 0 1 1