70363680 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 61 62 63 64 65 66 67 68 69 70 71 72 73 74 14 8 8 8 8 8 8 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 2 2 3 3 4 4 5 5 6 6 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 14 14 15 15 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 29 30 30 30 31 31 31 15 8 12 9 40 11 16 10 41 13 53 16 9 11 32 10 33 12 34 13 35 36 37 38 39 15 17 42 43 16 44 18 45 46 19 47 48 20 49 50 25 51 52 22 23 54 55 24 56 57 27 58 59 26 60 61 28 62 63 29 64 65 30 66 67 29 68 69 31 70 71 72 73 74 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 8 2 9 11 32 1 1 9 3 8 10 33 1 1 10 5 12 9 34 2 1 11 4 8 13 35 1 1 15 1 14 16 44 3 1 28 25 68 29 26 69 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 61 62 63 64 65 66 67 68 69 70 71 72 73 74 6.8189 5.0298 2.4608 5.0868 3.133 3.3548 4.2208 4.2208 3.4118 3.7208 4.2208 4.7208 3.3548 5.9529 5.9529 5.0868 6.8189 6.8189 7.6849 7.6849 12.8811 12.0151 13.7471 11.149 8.551 10.283 14.6131 8.551 9.417 15.4792 16.3452 4.9782 3.3148 3.1085 4.2208 4.656 5.3273 2.7442 3.1428 2 3.3852 5.7408 5.3423 6.4898 7.031 7.4295 6.6068 6.2083 7.897 8.2955 7.4729 7.0743 2.8179 13.2796 12.4825 11.6165 12.4136 13.3486 14.1456 11.5476 10.7505 8.763 9.1615 9.8845 10.6815 15.0117 14.2146 8.014 9.417 15.0806 15.8777 16.6552 16.8821 16.0352 -0.8529 -3.9407 -3.6316 -1.8529 -5.7007 -0.8529 -0.3529 -3.3529 -3.9407 -4.8917 -2.3529 -4.8917 -1.8529 0.6471 -0.3529 -0.8529 1.1471 2.1471 2.6471 3.6471 5.6471 5.1471 5.1471 5.6471 4.1471 5.1471 5.6471 5.1471 5.6471 5.1471 5.6471 -2.967 -3.3283 -4.7947 -1.7329 -5.5083 -5.0206 -1.7452 -2.4355 -4.0465 -6.2671 1.2297 0.5395 -0.0429 0.5645 1.2548 2.7297 2.0395 2.0645 2.7548 4.2297 3.5395 -0.5429 6.1221 6.1221 4.6722 4.6722 4.6722 4.6722 6.1221 6.1221 3.5645 4.2548 4.6722 4.6722 6.1221 6.1221 5.4571 6.2671 4.6722 4.6722 5.1102 5.9571 6.1841 6 5 6 5 3 8 9 10 11 15 32 3 5 4 1 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 487 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 19 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0783808000000000000000000000000000120000000000000000000000000000000001A10000800000814A0A002420800000600880020D208000000002000000808010000080110120001000240000580000B0003C8E8AC8000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H43O6Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(31)24(28)30-20(17-25)23-22(27)19(26)18-29-23/h9-10,19-23,25-27H,2-8,11-18H2,1H3/b10-9-/t19-,20+,21?,22+,23+/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PQHJGQWPFGYPTF-NOAJOOOPSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.28289062 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H43O6Si Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.7 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCC=CCCCCCCC(C(=O)OC(CO)C1C(C(CO1)O)O)[Si] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCC/C=C\CCCCCCC(C(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O)[Si] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 96.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.28289062 31 5 4 1 1 1 0 0 1 -1