2-(4-bromophenyl)ethynyl-triethylsilane

C14H19BrSi — CID 10803804

IUPAC2-(4-bromophenyl)ethynyl-triethylsilane
SMILESCC[Si](C#Cc1ccc(Br)cc1)(CC)CC
InChIInChI=1S/C14H19BrSi/c1-4-16(5-2,6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6H2,1-3H3
InChIKeyXOUPOVZLWDLDFB-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.85
Rot. Bonds3

About 2-(4-bromophenyl)ethynyl-triethylsilane

2-(4-bromophenyl)ethynyl-triethylsilane (PubChem CID 10803804) has the molecular formula C14H19BrSi and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethynyl-triethylsilane.

Molecular Properties

Compound Name2-(4-bromophenyl)ethynyl-triethylsilane
PubChem CID10803804
Molecular FormulaC14H19BrSi
Molecular Weight295.30 g/mol
Exact Mass294.04
IUPAC Name2-(4-bromophenyl)ethynyl-triethylsilane
SMILESCC[Si](C#Cc1ccc(Br)cc1)(CC)CC
InChIInChI=1S/C14H19BrSi/c1-4-16(5-2,6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6H2,1-3H3
InChIKeyXOUPOVZLWDLDFB-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.85
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 2-(4-bromophenyl)ethynyl-triethylsilane?
The IUPAC name of 2-(4-bromophenyl)ethynyl-triethylsilane (CID 10803804) is 2-(4-bromophenyl)ethynyl-triethylsilane.
What is the SMILES notation for 2-(4-bromophenyl)ethynyl-triethylsilane?
The canonical SMILES for 2-(4-bromophenyl)ethynyl-triethylsilane is CC[Si](C#Cc1ccc(Br)cc1)(CC)CC.
What is the InChIKey of 2-(4-bromophenyl)ethynyl-triethylsilane?
The InChIKey is XOUPOVZLWDLDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrSi/c1-4-16(5-2,6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)ethynyl-triethylsilane?
2-(4-bromophenyl)ethynyl-triethylsilane has a molecular weight of 295.30 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethynyl-triethylsilane is sourced from PubChem (CID 10803804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).