tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane

C24H36F2O3Si2 — CID 70291802

IUPACtert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(Oc2cccc(O[Si](C)(C)C(C)(C)C)c2F)c1F
InChIInChI=1S/C24H36F2O3Si2/c1-23(2,3)30(7,8)28-19-15-11-13-17(21(19)25)27-18-14-12-16-20(22(18)26)29-31(9,10)24(4,5)6/h11-16H,1-10H3
InChIKeySTNJNQYMZYEUMM-UHFFFAOYSA-N
MW466.72 g/mol
LogP8.53
Rot. Bonds6

About tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane

tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane (PubChem CID 70291802) has the molecular formula C24H36F2O3Si2 and a molecular weight of 466.72 g/mol. Its IUPAC name is tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane
PubChem CID70291802
Molecular FormulaC24H36F2O3Si2
Molecular Weight466.72 g/mol
Exact Mass466.22
IUPAC Nametert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(Oc2cccc(O[Si](C)(C)C(C)(C)C)c2F)c1F
InChIInChI=1S/C24H36F2O3Si2/c1-23(2,3)30(7,8)28-19-15-11-13-17(21(19)25)27-18-14-12-16-20(22(18)26)29-31(9,10)24(4,5)6/h11-16H,1-10H3
InChIKeySTNJNQYMZYEUMM-UHFFFAOYSA-N
XLogP8.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.72
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane (CID 70291802) is tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(Oc2cccc(O[Si](C)(C)C(C)(C)C)c2F)c1F.
What is the InChIKey of tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane?
The InChIKey is STNJNQYMZYEUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O3Si2/c1-23(2,3)30(7,8)28-19-15-11-13-17(21(19)25)27-18-14-12-16-20(22(18)26)29-31(9,10)24(4,5)6/h11-16H,1-10H3.
What are the key properties of tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane?
tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane has a molecular weight of 466.72 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenoxy]-2-fluorophenoxy]-dimethylsilane is sourced from PubChem (CID 70291802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).