2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane

C16H15BrSi — CID 140704455

IUPAC2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane
SMILESC[Si](C)(C#Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H15BrSi/c1-18(2,16-6-4-3-5-7-16)13-12-14-8-10-15(17)11-9-14/h3-11H,1-2H3
InChIKeyGDHLXEGTZFKKCR-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.96
Rot. Bonds1

About 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane

2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane (PubChem CID 140704455) has the molecular formula C16H15BrSi and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane
PubChem CID140704455
Molecular FormulaC16H15BrSi
Molecular Weight315.29 g/mol
Exact Mass314.01
IUPAC Name2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane
SMILESC[Si](C)(C#Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H15BrSi/c1-18(2,16-6-4-3-5-7-16)13-12-14-8-10-15(17)11-9-14/h3-11H,1-2H3
InChIKeyGDHLXEGTZFKKCR-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.96
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-dimethyl-phenylsilane?
The IUPAC name of 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane (CID 140704455) is 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane.
What is the SMILES notation for 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane?
The canonical SMILES for 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane is C[Si](C)(C#Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane?
The InChIKey is GDHLXEGTZFKKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrSi/c1-18(2,16-6-4-3-5-7-16)13-12-14-8-10-15(17)11-9-14/h3-11H,1-2H3.
What are the key properties of 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane?
2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane has a molecular weight of 315.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethynyl-dimethyl-phenylsilane is sourced from PubChem (CID 140704455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).