[(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane

C12H23BrOSi — CID 58453186

IUPAC[(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
SMILESCC(/C=C/CO[Si](C)(C)C(C)(C)C)=C\Br
InChIInChI=1S/C12H23BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h7-8,10H,9H2,1-6H3/b8-7+,11-10+
InChIKeyDONNRMVTEVHMRC-ZDVGBALWSA-N
MW291.31 g/mol
LogP4.86
Rot. Bonds4

About [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane

[(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 58453186) has the molecular formula C12H23BrOSi and a molecular weight of 291.31 g/mol. Its IUPAC name is [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
PubChem CID58453186
Molecular FormulaC12H23BrOSi
Molecular Weight291.31 g/mol
Exact Mass290.07
IUPAC Name[(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
SMILESCC(/C=C/CO[Si](C)(C)C(C)(C)C)=C\Br
InChIInChI=1S/C12H23BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h7-8,10H,9H2,1-6H3/b8-7+,11-10+
InChIKeyDONNRMVTEVHMRC-ZDVGBALWSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane (CID 58453186) is [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane is CC(/C=C/CO[Si](C)(C)C(C)(C)C)=C\Br.
What is the InChIKey of [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is DONNRMVTEVHMRC-ZDVGBALWSA-N. The full InChI is InChI=1S/C12H23BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h7-8,10H,9H2,1-6H3/b8-7+,11-10+.
What are the key properties of [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane?
[(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 291.31 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 58453186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).