(4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane

C11H25BrOSi — CID 18334707

IUPAC(4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25BrOSi/c1-10(2,3)14(6,7)13-11(4,5)8-9-12/h8-9H2,1-7H3
InChIKeyIWLCZULXBMSDMP-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.57
Rot. Bonds4

About (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane

(4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 18334707) has the molecular formula C11H25BrOSi and a molecular weight of 281.31 g/mol. Its IUPAC name is (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane
PubChem CID18334707
Molecular FormulaC11H25BrOSi
Molecular Weight281.31 g/mol
Exact Mass280.09
IUPAC Name(4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25BrOSi/c1-10(2,3)14(6,7)13-11(4,5)8-9-12/h8-9H2,1-7H3
InChIKeyIWLCZULXBMSDMP-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane (CID 18334707) is (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane is CC(C)(CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is IWLCZULXBMSDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BrOSi/c1-10(2,3)14(6,7)13-11(4,5)8-9-12/h8-9H2,1-7H3.
What are the key properties of (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane?
(4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 281.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylbutan-2-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 18334707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).