potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane

C25H63F3KNO8S2Si5 — CID 162189211

IUPACpotassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane
SMILESC.C.C.C.C.C.C[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C.[K+]
InChIInChI=1S/C19H39F3NO8S2Si5.6CH4.K/c1-34(28-37(8,9)30-35(2,3)4)29-38(10,31-36(5,6)7)16-15-17-11-13-18(14-12-17)32(24,25)23-33(26,27)19(20,21)22;;;;;;;/h11-14,34H,15-16H2,1-10H3;6*1H4;/q-1;;;;;;;+1
InChIKeyYDSSJXOIYJGMFD-UHFFFAOYSA-N
MW806.43 g/mol
LogP6.32
Rot. Bonds14

About potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane

potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane (PubChem CID 162189211) has the molecular formula C25H63F3KNO8S2Si5 and a molecular weight of 806.43 g/mol. Its IUPAC name is potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane.

Molecular Properties

Compound Namepotassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane
PubChem CID162189211
Molecular FormulaC25H63F3KNO8S2Si5
Molecular Weight806.43 g/mol
Exact Mass805.24
IUPAC Namepotassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane
SMILESC.C.C.C.C.C.C[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C.[K+]
InChIInChI=1S/C19H39F3NO8S2Si5.6CH4.K/c1-34(28-37(8,9)30-35(2,3)4)29-38(10,31-36(5,6)7)16-15-17-11-13-18(14-12-17)32(24,25)23-33(26,27)19(20,21)22;;;;;;;/h11-14,34H,15-16H2,1-10H3;6*1H4;/q-1;;;;;;;+1
InChIKeyYDSSJXOIYJGMFD-UHFFFAOYSA-N
XLogP6.32
TPSA119.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms45
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.43
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane?
The IUPAC name of potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane (CID 162189211) is potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane.
What is the SMILES notation for potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane?
The canonical SMILES for potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane is C.C.C.C.C.C.C[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C.[K+].
What is the InChIKey of potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane?
The InChIKey is YDSSJXOIYJGMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39F3NO8S2Si5.6CH4.K/c1-34(28-37(8,9)30-35(2,3)4)29-38(10,31-36(5,6)7)16-15-17-11-13-18(14-12-17)32(24,25)23-33(26,27)19(20,21)22;;;;;;;/h11-14,34H,15-16H2,1-10H3;6*1H4;/q-1;;;;;;;+1.
What are the key properties of potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane?
potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane has a molecular weight of 806.43 g/mol, XLogP of 6.32, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide;methane is sourced from PubChem (CID 162189211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).