(3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane

C13H20BrClOSi — CID 135022452

IUPAC(3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H20BrClOSi/c1-13(2,3)17(4,5)16-9-10-6-7-12(15)11(14)8-10/h6-8H,9H2,1-5H3
InChIKeyHYWYNPOYNCWCAY-UHFFFAOYSA-N
MW335.75 g/mol
LogP5.62
Rot. Bonds3

About (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane

(3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 135022452) has the molecular formula C13H20BrClOSi and a molecular weight of 335.75 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane
PubChem CID135022452
Molecular FormulaC13H20BrClOSi
Molecular Weight335.75 g/mol
Exact Mass334.02
IUPAC Name(3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H20BrClOSi/c1-13(2,3)17(4,5)16-9-10-6-7-12(15)11(14)8-10/h6-8H,9H2,1-5H3
InChIKeyHYWYNPOYNCWCAY-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.75
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane (CID 135022452) is (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is HYWYNPOYNCWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClOSi/c1-13(2,3)17(4,5)16-9-10-6-7-12(15)11(14)8-10/h6-8H,9H2,1-5H3.
What are the key properties of (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane?
(3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 335.75 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135022452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).