dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate

C66H114F6K2N2O16S2Si2 — CID 167698716

About dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate

dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate (PubChem CID 167698716) has the molecular formula C66H114F6K2N2O16S2Si2 and a molecular weight of 1504.13 g/mol. Its IUPAC name is dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate
• PubChem CID: 167698716
• Molecular Formula: C66H114F6K2N2O16S2Si2
• Molecular Weight: 1504.13 g/mol
• Exact Mass: 1502.63
• IUPAC Name: dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate
• SMILES: CC(C)CCCOc1ccc(C([O-])=NS(=O)(=O)C(F)(F)F)cc1.CCC(C)(C)C(=O)OCCCC(C)C.CCC(C)c1ccc(C([O-])=NS(=O)(=O)C(F)(F)F)cc1.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.CCOCCOCCOC(=O)C(C)CC.[K+].[K+]
• InChI: InChI=1S/C17H38O3Si2.C14H18F3NO4S.C12H14F3NO3S.C12H24O2.C11H22O4.2K/c1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-10(2)4-3-9-22-12-7-5-11(6-8-12)13(19)18-23(20,21)14(15,16)17;1-3-8(2)9-4-6-10(7-5-9)11(17)16-20(18,19)12(13,14)15;1-6-12(4,5)11(13)14-9-7-8-10(2)3;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;;/h9-15H2,1-8H3;5-8,10H,3-4,9H2,1-2H3,(H,18,19);4-8H,3H2,1-2H3,(H,16,17);10H,6-9H2,1-5H3;10H,4-9H2,1-3H3;;/q;;;;;2*+1/p-2
• InChIKey: PNTRQGZJRMJUSK-UHFFFAOYSA-L
• XLogP: 9.24
• TPSA: 254.94 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1504.13
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate?

The IUPAC name of dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate (CID 167698716) is dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate.

What is the SMILES notation for dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate?

The canonical SMILES for dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate is CC(C)CCCOc1ccc(C([O-])=NS(=O)(=O)C(F)(F)F)cc1.CCC(C)(C)C(=O)OCCCC(C)C.CCC(C)c1ccc(C([O-])=NS(=O)(=O)C(F)(F)F)cc1.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.CCOCCOCCOC(=O)C(C)CC.[K+].[K+].

What is the InChIKey of dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate?

The InChIKey is PNTRQGZJRMJUSK-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H38O3Si2.C14H18F3NO4S.C12H14F3NO3S.C12H24O2.C11H22O4.2K/c1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-10(2)4-3-9-22-12-7-5-11(6-8-12)13(19)18-23(20,21)14(15,16)17;1-3-8(2)9-4-6-10(7-5-9)11(17)16-20(18,19)12(13,14)15;1-6-12(4,5)11(13)14-9-7-8-10(2)3;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;;/h9-15H2,1-8H3;5-8,10H,3-4,9H2,1-2H3,(H,18,19);4-8H,3H2,1-2H3,(H,16,17);10H,6-9H2,1-5H3;10H,4-9H2,1-3H3;;/q;;;;;2*+1/p-2.

What are the key properties of dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate?

dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate has a molecular weight of 1504.13 g/mol, XLogP of 9.24, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate is sourced from PubChem (CID 167698716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).