2-(4-bromophenyl)ethynyl-trimethylsilane

C11H13BrSi — CID 4226980

IUPAC2-(4-bromophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
InChIKeyRNMSGCJGNJYDNS-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.68
Rot. Bonds

About 2-(4-bromophenyl)ethynyl-trimethylsilane

2-(4-bromophenyl)ethynyl-trimethylsilane (PubChem CID 4226980) has the molecular formula C11H13BrSi and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(4-bromophenyl)ethynyl-trimethylsilane
PubChem CID4226980
Molecular FormulaC11H13BrSi
Molecular Weight253.22 g/mol
Exact Mass252.00
IUPAC Name2-(4-bromophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
InChIKeyRNMSGCJGNJYDNS-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.68
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-trimethylsilane?
The IUPAC name of 2-(4-bromophenyl)ethynyl-trimethylsilane (CID 4226980) is 2-(4-bromophenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(4-bromophenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(4-bromophenyl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)ethynyl-trimethylsilane?
The InChIKey is RNMSGCJGNJYDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3.
What are the key properties of 2-(4-bromophenyl)ethynyl-trimethylsilane?
2-(4-bromophenyl)ethynyl-trimethylsilane has a molecular weight of 253.22 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 4226980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).