[(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane

C16H31BrOSi — CID 11002529

IUPAC[(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C16H31BrOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+
InChIKeyUQFVWJNRXWVNTI-QYFSLLALSA-N
MW347.41 g/mol
LogP6.08
Rot. Bonds7

About [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane

[(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 11002529) has the molecular formula C16H31BrOSi and a molecular weight of 347.41 g/mol. Its IUPAC name is [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane
PubChem CID11002529
Molecular FormulaC16H31BrOSi
Molecular Weight347.41 g/mol
Exact Mass346.13
IUPAC Name[(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C16H31BrOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+
InChIKeyUQFVWJNRXWVNTI-QYFSLLALSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 56.08
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 [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane (CID 11002529) is [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane is C/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CBr.
What is the InChIKey of [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is UQFVWJNRXWVNTI-QYFSLLALSA-N. The full InChI is InChI=1S/C16H31BrOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+.
What are the key properties of [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane?
[(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 347.41 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11002529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).