[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane

C12H23BrO3Si — CID 101240752

IUPAC[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane
SMILESC[Si](C)(C)O/C(Br)=C\CCOC1CCCCO1
InChIInChI=1S/C12H23BrO3Si/c1-17(2,3)16-11(13)7-6-10-15-12-8-4-5-9-14-12/h7,12H,4-6,8-10H2,1-3H3/b11-7-
InChIKeyJCDWWNJQKHEYDE-XFFZJAGNSA-N
MW323.30 g/mol
LogP4.01
Rot. Bonds6

About [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane

[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane (PubChem CID 101240752) has the molecular formula C12H23BrO3Si and a molecular weight of 323.30 g/mol. Its IUPAC name is [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane
PubChem CID101240752
Molecular FormulaC12H23BrO3Si
Molecular Weight323.30 g/mol
Exact Mass322.06
IUPAC Name[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane
SMILESC[Si](C)(C)O/C(Br)=C\CCOC1CCCCO1
InChIInChI=1S/C12H23BrO3Si/c1-17(2,3)16-11(13)7-6-10-15-12-8-4-5-9-14-12/h7,12H,4-6,8-10H2,1-3H3/b11-7-
InChIKeyJCDWWNJQKHEYDE-XFFZJAGNSA-N
XLogP4.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane?
The IUPAC name of [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane (CID 101240752) is [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane is C[Si](C)(C)O/C(Br)=C\CCOC1CCCCO1.
What is the InChIKey of [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane?
The InChIKey is JCDWWNJQKHEYDE-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H23BrO3Si/c1-17(2,3)16-11(13)7-6-10-15-12-8-4-5-9-14-12/h7,12H,4-6,8-10H2,1-3H3/b11-7-.
What are the key properties of [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane?
[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane has a molecular weight of 323.30 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enoxy]-trimethylsilane is sourced from PubChem (CID 101240752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).