2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane

C146H141ClF12N32O22Si4 — CID 159157759

About 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane

2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane (PubChem CID 159157759) has the molecular formula C146H141ClF12N32O22Si4 and a molecular weight of 3071.71 g/mol. Its IUPAC name is 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane
• PubChem CID: 159157759
• Molecular Formula: C146H141ClF12N32O22Si4
• Molecular Weight: 3071.71 g/mol
• Exact Mass: 3068.95
• IUPAC Name: 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane
• SMILES: CCOC(=O)C1C2Oc3ccc(O)cc3C21.CCOC(=O)C1C2Oc3ccc(Oc4ncnc5c4ncn5COCC[Si](C)(C)C)cc3C21.C[Si](C)(C)CCOCn1cnc2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cnc2c(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ncnc21.C[Si](C)(C)CCOCn1cnc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ncnc21.FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ncnc7nc[nH]c67)cc5C43)[nH]c2c1.FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ncnc7nc[nH]c67)cc5C43)[nH]c2c1.Nc1ccc(C(F)(F)F)cc1N
• InChI: InChI=1S/C28H27F3N6O3Si.C23H28N4O5Si.2C22H13F3N6O2.C21H24N4O5Si.C12H12O4.C11H17ClN4OSi.C7H7F3N2/c1-41(2,3)9-8-38-14-37-13-34-23-26(37)32-12-33-27(23)39-16-5-7-20-17(11-16)21-22(24(21)40-20)25-35-18-6-4-15(28(29,30)31)10-19(18)36-25;1-5-30-23(28)18-17-15-10-14(6-7-16(15)32-20(17)18)31-22-19-21(24-11-25-22)27(12-26-19)13-29-8-9-33(2,3)4;2*23-22(24,25)9-1-3-12-13(5-9)31-19(30-12)16-15-11-6-10(2-4-14(11)33-18(15)16)32-21-17-20(27-7-26-17)28-8-29-21;1-31(2,3)7-6-28-11-25-10-24-17-19(25)22-9-23-20(17)29-12-4-5-14-13(8-12)15-16(21(26)27)18(15)30-14;1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10;1-18(2,3)5-4-17-8-16-7-15-9-10(12)13-6-14-11(9)16;8-7(9,10)4-1-2-5(11)6(12)3-4/h4-7,10-13,21-22,24H,8-9,14H2,1-3H3,(H,35,36);6-7,10-12,17-18,20H,5,8-9,13H2,1-4H3;2*1-8,15-16,18H,(H,30,31)(H,26,27,28,29);4-5,8-10,15-16,18H,6-7,11H2,1-3H3,(H,26,27);3-5,9-11,13H,2H2,1H3;6-7H,4-5,8H2,1-3H3;1-3H,11-12H2
• InChIKey: KKCJGCYZXBTSQI-UHFFFAOYSA-N
• XLogP: 29.38
• TPSA: 669.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 38
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3071.71
LogP ≤ 5	29.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane?

The IUPAC name of 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane (CID 159157759) is 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane.

What is the SMILES notation for 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane?

The canonical SMILES for 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane is CCOC(=O)C1C2Oc3ccc(O)cc3C21.CCOC(=O)C1C2Oc3ccc(Oc4ncnc5c4ncn5COCC[Si](C)(C)C)cc3C21.C[Si](C)(C)CCOCn1cnc2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cnc2c(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ncnc21.C[Si](C)(C)CCOCn1cnc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ncnc21.FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ncnc7nc[nH]c67)cc5C43)[nH]c2c1.FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ncnc7nc[nH]c67)cc5C43)[nH]c2c1.Nc1ccc(C(F)(F)F)cc1N.

What is the InChIKey of 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane?

The InChIKey is KKCJGCYZXBTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O3Si.C23H28N4O5Si.2C22H13F3N6O2.C21H24N4O5Si.C12H12O4.C11H17ClN4OSi.C7H7F3N2/c1-41(2,3)9-8-38-14-37-13-34-23-26(37)32-12-33-27(23)39-16-5-7-20-17(11-16)21-22(24(21)40-20)25-35-18-6-4-15(28(29,30)31)10-19(18)36-25;1-5-30-23(28)18-17-15-10-14(6-7-16(15)32-20(17)18)31-22-19-21(24-11-25-22)27(12-26-19)13-29-8-9-33(2,3)4;2*23-22(24,25)9-1-3-12-13(5-9)31-19(30-12)16-15-11-6-10(2-4-14(11)33-18(15)16)32-21-17-20(27-7-26-17)28-8-29-21;1-31(2,3)7-6-28-11-25-10-24-17-19(25)22-9-23-20(17)29-12-4-5-14-13(8-12)15-16(21(26)27)18(15)30-14;1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10;1-18(2,3)5-4-17-8-16-7-15-9-10(12)13-6-14-11(9)16;8-7(9,10)4-1-2-5(11)6(12)3-4/h4-7,10-13,21-22,24H,8-9,14H2,1-3H3,(H,35,36);6-7,10-12,17-18,20H,5,8-9,13H2,1-4H3;2*1-8,15-16,18H,(H,30,31)(H,26,27,28,29);4-5,8-10,15-16,18H,6-7,11H2,1-3H3,(H,26,27);3-5,9-11,13H,2H2,1H3;6-7H,4-5,8H2,1-3H3;1-3H,11-12H2.

What are the key properties of 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane?

2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane has a molecular weight of 3071.71 g/mol, XLogP of 29.38, 38 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-chloropurin-9-yl)methoxy]ethyl-trimethylsilane;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine;bis(6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine);5-[9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;trimethyl-[2-[[6-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]purin-9-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159157759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).