tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane

C26H31FO4SSi — CID 23499610

IUPACtert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(OCc2ccccc2)c(S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H31FO4SSi/c1-26(2,3)33(4,5)31-19-21-11-16-24(30-18-20-9-7-6-8-10-20)25(17-21)32(28,29)23-14-12-22(27)13-15-23/h6-17H,18-19H2,1-5H3
InChIKeyQFGCVBWRIPPNIN-UHFFFAOYSA-N
MW486.68 g/mol
LogP6.76
Rot. Bonds8

About tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane

tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane (PubChem CID 23499610) has the molecular formula C26H31FO4SSi and a molecular weight of 486.68 g/mol. Its IUPAC name is tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane
PubChem CID23499610
Molecular FormulaC26H31FO4SSi
Molecular Weight486.68 g/mol
Exact Mass486.17
IUPAC Nametert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(OCc2ccccc2)c(S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H31FO4SSi/c1-26(2,3)33(4,5)31-19-21-11-16-24(30-18-20-9-7-6-8-10-20)25(17-21)32(28,29)23-14-12-22(27)13-15-23/h6-17H,18-19H2,1-5H3
InChIKeyQFGCVBWRIPPNIN-UHFFFAOYSA-N
XLogP6.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.68
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane (CID 23499610) is tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(OCc2ccccc2)c(S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane?
The InChIKey is QFGCVBWRIPPNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FO4SSi/c1-26(2,3)33(4,5)31-19-21-11-16-24(30-18-20-9-7-6-8-10-20)25(17-21)32(28,29)23-14-12-22(27)13-15-23/h6-17H,18-19H2,1-5H3.
What are the key properties of tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane?
tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane has a molecular weight of 486.68 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(4-fluorophenyl)sulfonyl-4-phenylmethoxyphenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 23499610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).