4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)

C136H191BBrF18N15O18SSi5 — CID 157295142

About 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)

4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol) (PubChem CID 157295142) has the molecular formula C136H191BBrF18N15O18SSi5 and a molecular weight of 2929.29 g/mol. Its IUPAC name is 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol).

Molecular Properties

• Compound Name: 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)
• PubChem CID: 157295142
• Molecular Formula: C136H191BBrF18N15O18SSi5
• Molecular Weight: 2929.29 g/mol
• Exact Mass: 2926.20
• IUPAC Name: 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)
• SMILES: CC(=O)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(=O)C1CC=C(OS(=O)(=O)C(F)(F)F)CC1.CC(=O)C1CC=C(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1.CC(=O)C1CCC(=O)CC1.CC(=O)C1CCC(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1
• InChI: InChI=1S/C23H32F3N3O2Si.C23H30F3N3O2Si.2C22H32F3N3O2Si.C15H19BrF3N3OSi.C14H23BO3.C9H11F3O4S.C8H12O2/c2*1-16(30)17-5-7-18(8-6-17)20-10-9-19(13-27-20)22-28-21(23(24,25)26)14-29(22)15-31-11-12-32(2,3)4;2*1-31(2,3)11-10-30-15-28-13-20(22(23,24)25)27-21(28)18-8-9-19(26-12-18)17-6-4-16(14-29)5-7-17;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11;1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15;1-6(13)7-2-4-8(5-3-7)16-17(14,15)9(10,11)12;1-6(9)7-2-4-8(10)5-3-7/h9-10,13-14,17-18H,5-8,11-12,15H2,1-4H3;7,9-10,13-14,17H,5-6,8,11-12,15H2,1-4H3;2*8-9,12-13,16-17,29H,4-7,10-11,14-15H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;8,11H,6-7,9H2,1-5H3;4,7H,2-3,5H2,1H3;7H,2-5H2,1H3
• InChIKey: BBGLHUYKPKCWER-UHFFFAOYSA-N
• XLogP: 34.70
• TPSA: 404.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 44
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2929.29
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)?

The IUPAC name of 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol) (CID 157295142) is 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol).

What is the SMILES notation for 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)?

The canonical SMILES for 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol) is CC(=O)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(=O)C1CC=C(OS(=O)(=O)C(F)(F)F)CC1.CC(=O)C1CC=C(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1.CC(=O)C1CCC(=O)CC1.CC(=O)C1CCC(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.

What is the InChIKey of 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)?

The InChIKey is BBGLHUYKPKCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N3O2Si.C23H30F3N3O2Si.2C22H32F3N3O2Si.C15H19BrF3N3OSi.C14H23BO3.C9H11F3O4S.C8H12O2/c2*1-16(30)17-5-7-18(8-6-17)20-10-9-19(13-27-20)22-28-21(23(24,25)26)14-29(22)15-31-11-12-32(2,3)4;2*1-31(2,3)11-10-30-15-28-13-20(22(23,24)25)27-21(28)18-8-9-19(26-12-18)17-6-4-16(14-29)5-7-17;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11;1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15;1-6(13)7-2-4-8(5-3-7)16-17(14,15)9(10,11)12;1-6(9)7-2-4-8(10)5-3-7/h9-10,13-14,17-18H,5-8,11-12,15H2,1-4H3;7,9-10,13-14,17H,5-6,8,11-12,15H2,1-4H3;2*8-9,12-13,16-17,29H,4-7,10-11,14-15H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;8,11H,6-7,9H2,1-5H3;4,7H,2-3,5H2,1H3;7H,2-5H2,1H3.

What are the key properties of 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)?

4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol) has a molecular weight of 2929.29 g/mol, XLogP of 34.70, 44 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol) is sourced from PubChem (CID 157295142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).