10911 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 53 54 55 56 57 58 59 60 14 14 14 14 14 14 8 8 8 8 8 8 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 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 7 8 13 14 7 9 15 16 8 10 17 18 9 11 19 20 10 12 21 22 11 12 23 24 40 41 42 37 38 39 34 35 36 31 32 33 28 29 30 25 26 27 58 59 60 55 56 57 52 53 54 49 50 51 46 47 48 43 44 45 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 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 47 48 49 50 51 52 53 54 55 56 57 58 59 60 5.564 3.832 6.43 2.9659 5.564 3.832 4.698 6.43 2.9659 5.564 3.832 4.698 6.2711 5.3052 3.1249 4.0908 7.396 7.1371 2 2.2588 5.8228 6.5299 3.5731 2.866 7.5755 7.5755 6.6987 7.2355 7.9948 7.5564 3.4919 4.2512 4.6896 2.6865 2.6865 3.5633 4.7063 5.1447 5.9041 5.8327 6.7095 6.7095 3.0265 2.2672 2.7056 4.172 3.4127 2.9743 6.6904 7.1288 6.3695 6.4217 5.9833 5.224 2.6972 1.8204 1.8204 1.8395 1.4011 2.1605 -1.5 -1.5 0 0 1.5 1.5 -1 -1 -1 0.5 0.5 2 -2.2071 -2.4659 -2.2072 -2.4659 -0.2588 0.7071 -0.2588 0.7071 2.4659 1.7588 2.4659 1.7588 0.2687 1.1455 1.1455 -0.8577 -0.4193 0.3401 -2.6264 -3.0648 -2.3055 -1.7688 -2.6456 -2.6455 -2.3055 -3.0648 -2.6264 -2.6455 -2.6455 -1.7687 2.3577 1.9193 1.16 2.6264 3.0648 2.3055 1.16 1.9193 2.3577 2.3055 3.0648 2.6264 1.1455 1.1455 0.2687 0.3401 -0.4193 -0.8577 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 320 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371F070380C0000000000000000000000000000000000000000000000000000000000000010100000400000000000004200000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 IUMSDRXLFWAGNT-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 444.112748 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C12H36O6Si6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 444.92364 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 55.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 444.112748 24 0 0 0 0 0 0 0 1 1