silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane

C40H77AgF4O11SSi2 — CID 165102190

IUPACsilver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane
SMILESC.C.CCC(C)(C)C(=O)Oc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCC(C)OCCOCCOC.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.[Ag+]
InChIInChI=1S/C17H38O3Si2.C12H12F4O5S.C9H20O3.2CH4.Ag/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(17)21-9-5(13)7(15)10(22(18,19)20)8(16)6(9)14;1-4-9(2)12-8-7-11-6-5-10-3;;;/h9-15H2,1-8H3;4H2,1-3H3,(H,18,19,20);9H,4-8H2,1-3H3;2*1H4;/q;;;;;+1/p-1
InChIKeyYNDGAVHVQRGQJE-UHFFFAOYSA-M
MW1006.14 g/mol
LogP10.81
Rot. Bonds23

About silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane

silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane (PubChem CID 165102190) has the molecular formula C40H77AgF4O11SSi2 and a molecular weight of 1006.14 g/mol. Its IUPAC name is silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane.

Molecular Properties

Compound Namesilver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane
PubChem CID165102190
Molecular FormulaC40H77AgF4O11SSi2
Molecular Weight1006.14 g/mol
Exact Mass1004.37
IUPAC Namesilver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane
SMILESC.C.CCC(C)(C)C(=O)Oc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCC(C)OCCOCCOC.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.[Ag+]
InChIInChI=1S/C17H38O3Si2.C12H12F4O5S.C9H20O3.2CH4.Ag/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(17)21-9-5(13)7(15)10(22(18,19)20)8(16)6(9)14;1-4-9(2)12-8-7-11-6-5-10-3;;;/h9-15H2,1-8H3;4H2,1-3H3,(H,18,19,20);9H,4-8H2,1-3H3;2*1H4;/q;;;;;+1/p-1
InChIKeyYNDGAVHVQRGQJE-UHFFFAOYSA-M
XLogP10.81
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001006.14
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane?
The IUPAC name of silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane (CID 165102190) is silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane.
What is the SMILES notation for silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane?
The canonical SMILES for silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane is C.C.CCC(C)(C)C(=O)Oc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCC(C)OCCOCCOC.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.[Ag+].
What is the InChIKey of silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane?
The InChIKey is YNDGAVHVQRGQJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38O3Si2.C12H12F4O5S.C9H20O3.2CH4.Ag/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(17)21-9-5(13)7(15)10(22(18,19)20)8(16)6(9)14;1-4-9(2)12-8-7-11-6-5-10-3;;;/h9-15H2,1-8H3;4H2,1-3H3,(H,18,19,20);9H,4-8H2,1-3H3;2*1H4;/q;;;;;+1/p-1.
What are the key properties of silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane?
silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane has a molecular weight of 1006.14 g/mol, XLogP of 10.81, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for silver;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;methane;2-[2-(2-methoxyethoxy)ethoxy]butane is sourced from PubChem (CID 165102190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).