2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane

C22H25BrOSSi — CID 156828780

IUPAC2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCc1ccsc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25BrOSSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-14-18-15-17-25-21(18)23/h4-13,15,17H,14,16H2,1-3H3
InChIKeyWNZTXFYAWMXQOI-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.63
Rot. Bonds6

About 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane

2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane (PubChem CID 156828780) has the molecular formula C22H25BrOSSi and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane
PubChem CID156828780
Molecular FormulaC22H25BrOSSi
Molecular Weight445.50 g/mol
Exact Mass444.06
IUPAC Name2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCc1ccsc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25BrOSSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-14-18-15-17-25-21(18)23/h4-13,15,17H,14,16H2,1-3H3
InChIKeyWNZTXFYAWMXQOI-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
CID 91800510
tert-butyl-(2-nitroethoxy)-diphenylsilane
CID 14974754
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophen-3-amine
CID 160666543
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane (CID 156828780) is 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCc1ccsc1Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane?
The InChIKey is WNZTXFYAWMXQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrOSSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-14-18-15-17-25-21(18)23/h4-13,15,17H,14,16H2,1-3H3.
What are the key properties of 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane?
2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane has a molecular weight of 445.50 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 156828780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).