tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane

C21H39FOSSi — CID 174039863

IUPACtert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(S(F)(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C21H39FOSSi/c1-19(2,3)24(22,20(4,5)6)18-14-12-17(13-15-18)16-23-25(10,11)21(7,8)9/h12-15H,16H2,1-11H3
InChIKeyDLQQLYHXJJJPTH-UHFFFAOYSA-N
MW386.69 g/mol
LogP7.85
Rot. Bonds4

About tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane (PubChem CID 174039863) has the molecular formula C21H39FOSSi and a molecular weight of 386.69 g/mol. Its IUPAC name is tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane
PubChem CID174039863
Molecular FormulaC21H39FOSSi
Molecular Weight386.69 g/mol
Exact Mass386.25
IUPAC Nametert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(S(F)(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C21H39FOSSi/c1-19(2,3)24(22,20(4,5)6)18-14-12-17(13-15-18)16-23-25(10,11)21(7,8)9/h12-15H,16H2,1-11H3
InChIKeyDLQQLYHXJJJPTH-UHFFFAOYSA-N
XLogP7.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2,2-Difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
CID 132604593
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
1-(3-Fluoro-4-methylsulfanylphenyl)ethenoxy-trimethylsilane
CID 69669112
Trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane
CID 90402467
[4-[Ditert-butyl(fluoro)-lambda4-sulfanyl]phenyl]methanol
CID 154663807
[(Ethylthio)[(trimethylsilyl)oxy]methyl]benzene
CID 12476928
Trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane
CID 12641117
[2-(4-Methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane
CID 72962573
Tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane
CID 73112372
[Dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane
CID 134937681
tert-butyl-dimethyl-[(E,1S,2S)-1-phenyl-2-phenylsulfanyldec-3-enoxy]silane
CID 135018818
tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane
CID 135018969

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane (CID 174039863) is tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(S(F)(C(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is DLQQLYHXJJJPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FOSSi/c1-19(2,3)24(22,20(4,5)6)18-14-12-17(13-15-18)16-23-25(10,11)21(7,8)9/h12-15H,16H2,1-11H3.
What are the key properties of tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 386.69 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 174039863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).