tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

C10H16F6HgO6Si — CID 171376634

IUPACtert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)[Si](C)(C)O[O-].O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Hg+2]
InChIInChI=1S/C6H16O2Si.2C2HF3O2.Hg/c1-6(2,3)9(4,5)8-7;2*3-2(4,5)1(6)7;/h7H,1-5H3;2*(H,6,7);/q;;;+2/p-2
InChIKeyQDURSKZERLNDPM-UHFFFAOYSA-L
MW574.90 g/mol
LogP1.21
Rot. Bonds1

About tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (PubChem CID 171376634) has the molecular formula C10H16F6HgO6Si and a molecular weight of 574.90 g/mol. Its IUPAC name is tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
PubChem CID171376634
Molecular FormulaC10H16F6HgO6Si
Molecular Weight574.90 g/mol
Exact Mass576.03
IUPAC Nametert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)[Si](C)(C)O[O-].O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Hg+2]
InChIInChI=1S/C6H16O2Si.2C2HF3O2.Hg/c1-6(2,3)9(4,5)8-7;2*3-2(4,5)1(6)7;/h7H,1-5H3;2*(H,6,7);/q;;;+2/p-2
InChIKeyQDURSKZERLNDPM-UHFFFAOYSA-L
XLogP1.21
TPSA109.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.90
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

lithium;acetic acid;2,2,2-trifluoroacetate
CID 89314712
2,2,2-trifluoroacetate acetate
CID 19379527
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
CID 170908001
2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18962902
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate
CID 157418814
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (CID 171376634) is tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is CC(C)(C)[Si](C)(C)O[O-].O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Hg+2].
What is the InChIKey of tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The InChIKey is QDURSKZERLNDPM-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H16O2Si.2C2HF3O2.Hg/c1-6(2,3)9(4,5)8-7;2*3-2(4,5)1(6)7;/h7H,1-5H3;2*(H,6,7);/q;;;+2/p-2.
What are the key properties of tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid has a molecular weight of 574.90 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171376634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).