potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane

C43H87F3KNO14SSi2 — CID 165020721

About potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane

potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane (PubChem CID 165020721) has the molecular formula C43H87F3KNO14SSi2 and a molecular weight of 1026.49 g/mol. Its IUPAC name is potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane.

Molecular Properties

• Compound Name: potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane
• PubChem CID: 165020721
• Molecular Formula: C43H87F3KNO14SSi2
• Molecular Weight: 1026.49 g/mol
• Exact Mass: 1025.50
• IUPAC Name: potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane
• SMILES: C.C.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)[N-]S(=O)(=O)C(F)(F)F.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.CCOCCOCCOC(=O)C(C)CC.[K+]
• InChI: InChI=1S/C17H38O3Si2.C13H20F3NO7S.C11H22O4.2CH4.K/c1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-4-12(2,3)11(20)24-8-7-23-10(19)6-5-9(18)17-25(21,22)13(14,15)16;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;;;/h9-15H2,1-8H3;4-8H2,1-3H3,(H,17,18);10H,4-9H2,1-3H3;2*1H4;/q;;;;;+1/p-1
• InChIKey: OMRQUIHANNOPTO-UHFFFAOYSA-M
• XLogP: 7.53
• TPSA: 198.20 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1026.49
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane?

The IUPAC name of potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane (CID 165020721) is potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane.

What is the SMILES notation for potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane?

The canonical SMILES for potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane is C.C.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)[N-]S(=O)(=O)C(F)(F)F.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.CCOCCOCCOC(=O)C(C)CC.[K+].

What is the InChIKey of potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane?

The InChIKey is OMRQUIHANNOPTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38O3Si2.C13H20F3NO7S.C11H22O4.2CH4.K/c1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-4-12(2,3)11(20)24-8-7-23-10(19)6-5-9(18)17-25(21,22)13(14,15)16;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;;;/h9-15H2,1-8H3;4-8H2,1-3H3,(H,17,18);10H,4-9H2,1-3H3;2*1H4;/q;;;;;+1/p-1.

What are the key properties of potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane?

potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane has a molecular weight of 1026.49 g/mol, XLogP of 7.53, 29 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane is sourced from PubChem (CID 165020721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).