(4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane

C11H23BrOSi — CID 85420478

IUPAC(4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane
SMILESCC(=CCBr)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23BrOSi/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h7H,8-9H2,1-6H3
InChIKeyRWUZAIQBGWJDFI-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.35
Rot. Bonds4

About (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane

(4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane (PubChem CID 85420478) has the molecular formula C11H23BrOSi and a molecular weight of 279.29 g/mol. Its IUPAC name is (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane
PubChem CID85420478
Molecular FormulaC11H23BrOSi
Molecular Weight279.29 g/mol
Exact Mass278.07
IUPAC Name(4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane
SMILESCC(=CCBr)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23BrOSi/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h7H,8-9H2,1-6H3
InChIKeyRWUZAIQBGWJDFI-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane (CID 85420478) is (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane is CC(=CCBr)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane?
The InChIKey is RWUZAIQBGWJDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrOSi/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h7H,8-9H2,1-6H3.
What are the key properties of (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane?
(4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane has a molecular weight of 279.29 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylbut-2-enoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 85420478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).