[(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane

C9H15BrSi — CID 11241721

IUPAC[(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C/CCBr
InChIInChI=1S/C9H15BrSi/c1-11(2,3)9-7-5-4-6-8-10/h4-5H,6,8H2,1-3H3/b5-4+
InChIKeyXHJDNBZTGIBTIU-SNAWJCMRSA-N
MW231.21 g/mol
LogP3.21
Rot. Bonds2

About [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane

[(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane (PubChem CID 11241721) has the molecular formula C9H15BrSi and a molecular weight of 231.21 g/mol. Its IUPAC name is [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane
PubChem CID11241721
Molecular FormulaC9H15BrSi
Molecular Weight231.21 g/mol
Exact Mass230.01
IUPAC Name[(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C/CCBr
InChIInChI=1S/C9H15BrSi/c1-11(2,3)9-7-5-4-6-8-10/h4-5H,6,8H2,1-3H3/b5-4+
InChIKeyXHJDNBZTGIBTIU-SNAWJCMRSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane (CID 11241721) is [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane is C[Si](C)(C)C#C/C=C/CCBr.
What is the InChIKey of [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane?
The InChIKey is XHJDNBZTGIBTIU-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15BrSi/c1-11(2,3)9-7-5-4-6-8-10/h4-5H,6,8H2,1-3H3/b5-4+.
What are the key properties of [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane?
[(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane has a molecular weight of 231.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-bromohex-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11241721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).