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

C12H23BrO2Si — CID 11449642

IUPAC[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C(Br)=C\CCOC1CCCCO1
InChIInChI=1S/C12H23BrO2Si/c1-16(2,3)11(13)7-6-10-15-12-8-4-5-9-14-12/h7,12H,4-6,8-10H2,1-3H3/b11-7-
InChIKeyHVFNTOGQLKNVHL-XFFZJAGNSA-N
MW307.30 g/mol
LogP4.08
Rot. Bonds5

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

[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane (PubChem CID 11449642) has the molecular formula C12H23BrO2Si and a molecular weight of 307.30 g/mol. Its IUPAC name is [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane
PubChem CID11449642
Molecular FormulaC12H23BrO2Si
Molecular Weight307.30 g/mol
Exact Mass306.07
IUPAC Name[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C(Br)=C\CCOC1CCCCO1
InChIInChI=1S/C12H23BrO2Si/c1-16(2,3)11(13)7-6-10-15-12-8-4-5-9-14-12/h7,12H,4-6,8-10H2,1-3H3/b11-7-
InChIKeyHVFNTOGQLKNVHL-XFFZJAGNSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-enyl]-trimethylsilane?
The IUPAC name of [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane (CID 11449642) is [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane is C[Si](C)(C)/C(Br)=C\CCOC1CCCCO1.
What is the InChIKey of [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane?
The InChIKey is HVFNTOGQLKNVHL-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H23BrO2Si/c1-16(2,3)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-enyl]-trimethylsilane?
[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane has a molecular weight of 307.30 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane is sourced from PubChem (CID 11449642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).