4-bromobuta-1,3-diynyl(trimethyl)silane

C7H9BrSi — CID 10932494

IUPAC4-bromobuta-1,3-diynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CC#CBr
InChIInChI=1S/C7H9BrSi/c1-9(2,3)7-5-4-6-8/h1-3H3
InChIKeyPDEJAPOINIFWIC-UHFFFAOYSA-N
MW201.14 g/mol
LogP2.22
Rot. Bonds

About 4-bromobuta-1,3-diynyl(trimethyl)silane

4-bromobuta-1,3-diynyl(trimethyl)silane (PubChem CID 10932494) has the molecular formula C7H9BrSi and a molecular weight of 201.14 g/mol. Its IUPAC name is 4-bromobuta-1,3-diynyl(trimethyl)silane.

Molecular Properties

Compound Name4-bromobuta-1,3-diynyl(trimethyl)silane
PubChem CID10932494
Molecular FormulaC7H9BrSi
Molecular Weight201.14 g/mol
Exact Mass199.97
IUPAC Name4-bromobuta-1,3-diynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CC#CBr
InChIInChI=1S/C7H9BrSi/c1-9(2,3)7-5-4-6-8/h1-3H3
InChIKeyPDEJAPOINIFWIC-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 4-bromobuta-1,3-diynyl(trimethyl)silane?
The IUPAC name of 4-bromobuta-1,3-diynyl(trimethyl)silane (CID 10932494) is 4-bromobuta-1,3-diynyl(trimethyl)silane.
What is the SMILES notation for 4-bromobuta-1,3-diynyl(trimethyl)silane?
The canonical SMILES for 4-bromobuta-1,3-diynyl(trimethyl)silane is C[Si](C)(C)C#CC#CBr.
What is the InChIKey of 4-bromobuta-1,3-diynyl(trimethyl)silane?
The InChIKey is PDEJAPOINIFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrSi/c1-9(2,3)7-5-4-6-8/h1-3H3.
What are the key properties of 4-bromobuta-1,3-diynyl(trimethyl)silane?
4-bromobuta-1,3-diynyl(trimethyl)silane has a molecular weight of 201.14 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobuta-1,3-diynyl(trimethyl)silane is sourced from PubChem (CID 10932494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).