potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate

C111H146BClFKN6O23Si2 — CID 159321900

About potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate

potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate (PubChem CID 159321900) has the molecular formula C111H146BClFKN6O23Si2 and a molecular weight of 2092.94 g/mol. Its IUPAC name is potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate.

Molecular Properties

• Compound Name: potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate
• PubChem CID: 159321900
• Molecular Formula: C111H146BClFKN6O23Si2
• Molecular Weight: 2092.94 g/mol
• Exact Mass: 2090.94
• IUPAC Name: potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3c(cc2[N+](=O)[O-])CC(C)(C)O3)CC1.CC(C)(C)[Si](OC1CCC(O)CC1)(c1ccccc1)c1ccccc1.CC1(C)Cc2cc([N+](=O)[O-])c(Cl)cc2O1.CC1(C)Cc2cc([N+](=O)[O-])c(F)cc2O1.CC1(C)Cc2cc([N+](=O)[O-])c(OC3CCC(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)cc2O1.C[O-].[K+]
• InChI: InChI=1S/C32H39NO5Si.C22H30O2Si.C20H26N2O5.C16H28BNO4.C10H10ClNO3.C10H10FNO3.CH3O.K/c1-31(2,3)39(26-12-8-6-9-13-26,27-14-10-7-11-15-27)38-25-18-16-24(17-19-25)36-30-21-29-23(20-28(30)33(34)35)22-32(4,5)37-29;1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19;1-19(2,3)27-18(23)21-8-6-13(7-9-21)15-11-17-14(10-16(15)22(24)25)12-20(4,5)26-17;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;2*1-10(2)5-6-3-8(12(13)14)7(11)4-9(6)15-10;1-2;/h6-15,20-21,24-25H,16-19,22H2,1-5H3;4-13,18-19,23H,14-17H2,1-3H3;6,10-11H,7-9,12H2,1-5H3;8H,9-11H2,1-7H3;2*3-4H,5H2,1-2H3;1H3;/q;;;;;;-1;+1
• InChIKey: QUNUQUJTJPPDSZ-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 358.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.94
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate?

The IUPAC name of potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate (CID 159321900) is potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate.

What is the SMILES notation for potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate?

The canonical SMILES for potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3c(cc2[N+](=O)[O-])CC(C)(C)O3)CC1.CC(C)(C)[Si](OC1CCC(O)CC1)(c1ccccc1)c1ccccc1.CC1(C)Cc2cc([N+](=O)[O-])c(Cl)cc2O1.CC1(C)Cc2cc([N+](=O)[O-])c(F)cc2O1.CC1(C)Cc2cc([N+](=O)[O-])c(OC3CCC(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)cc2O1.C[O-].[K+].

What is the InChIKey of potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate?

The InChIKey is QUNUQUJTJPPDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO5Si.C22H30O2Si.C20H26N2O5.C16H28BNO4.C10H10ClNO3.C10H10FNO3.CH3O.K/c1-31(2,3)39(26-12-8-6-9-13-26,27-14-10-7-11-15-27)38-25-18-16-24(17-19-25)36-30-21-29-23(20-28(30)33(34)35)22-32(4,5)37-29;1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19;1-19(2,3)27-18(23)21-8-6-13(7-9-21)15-11-17-14(10-16(15)22(24)25)12-20(4,5)26-17;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;2*1-10(2)5-6-3-8(12(13)14)7(11)4-9(6)15-10;1-2;/h6-15,20-21,24-25H,16-19,22H2,1-5H3;4-13,18-19,23H,14-17H2,1-3H3;6,10-11H,7-9,12H2,1-5H3;8H,9-11H2,1-7H3;2*3-4H,5H2,1-2H3;1H3;/q;;;;;;-1;+1.

What are the key properties of potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate?

potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate has a molecular weight of 2092.94 g/mol, XLogP of 19.35, 16 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate is sourced from PubChem (CID 159321900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).