sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C54H103F3NNaO18S2Si2 — CID 163504958

IUPACsodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.[Na+]
InChIInChI=1S/C25H50O11.C17H38O3Si2.C12H15F3NO4S2.Na/c1-5-25(2,3)24(26)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-27-4;1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-4-11(2,3)9-5-7-10(8-6-9)21(17,18)16-22(19,20)12(13,14)15;/h5-23H2,1-4H3;9-15H2,1-8H3;5-8H,4H2,1-3H3;/q;;-1;+1
InChIKeyWVNRMSREHIZXAF-UHFFFAOYSA-N
MW1254.70 g/mol
LogP7.62
Rot. Bonds45

About sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 163504958) has the molecular formula C54H103F3NNaO18S2Si2 and a molecular weight of 1254.70 g/mol. Its IUPAC name is sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namesodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID163504958
Molecular FormulaC54H103F3NNaO18S2Si2
Molecular Weight1254.70 g/mol
Exact Mass1253.60
IUPAC Namesodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.[Na+]
InChIInChI=1S/C25H50O11.C17H38O3Si2.C12H15F3NO4S2.Na/c1-5-25(2,3)24(26)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-27-4;1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-4-11(2,3)9-5-7-10(8-6-9)21(17,18)16-22(19,20)12(13,14)15;/h5-23H2,1-4H3;9-15H2,1-8H3;5-8H,4H2,1-3H3;/q;;-1;+1
InChIKeyWVNRMSREHIZXAF-UHFFFAOYSA-N
XLogP7.62
TPSA227.28 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds45
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001254.70
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 163504958) is sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.[Na+].
What is the InChIKey of sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is WVNRMSREHIZXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O11.C17H38O3Si2.C12H15F3NO4S2.Na/c1-5-25(2,3)24(26)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-27-4;1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-4-11(2,3)9-5-7-10(8-6-9)21(17,18)16-22(19,20)12(13,14)15;/h5-23H2,1-4H3;9-15H2,1-8H3;5-8H,4H2,1-3H3;/q;;-1;+1.
What are the key properties of sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 1254.70 g/mol, XLogP of 7.62, 45 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;[4-(2-methylbutan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 163504958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).