[(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane

C11H23BrOSi — CID 11000419

IUPAC[(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C11H23BrOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h7H,8-9H2,1-6H3/b10-7+
InChIKeyONIBJRAKLXVUDN-JXMROGBWSA-N
MW279.29 g/mol
LogP4.35
Rot. Bonds4

About [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane

[(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11000419) has the molecular formula C11H23BrOSi and a molecular weight of 279.29 g/mol. Its IUPAC name is [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID11000419
Molecular FormulaC11H23BrOSi
Molecular Weight279.29 g/mol
Exact Mass278.07
IUPAC Name[(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C11H23BrOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h7H,8-9H2,1-6H3/b10-7+
InChIKeyONIBJRAKLXVUDN-JXMROGBWSA-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 [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane (CID 11000419) is [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane is C/C(=C\CO[Si](C)(C)C(C)(C)C)CBr.
What is the InChIKey of [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is ONIBJRAKLXVUDN-JXMROGBWSA-N. The full InChI is InChI=1S/C11H23BrOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h7H,8-9H2,1-6H3/b10-7+.
What are the key properties of [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane?
[(E)-4-bromo-3-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 [(E)-4-bromo-3-methylbut-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11000419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).