4-(2-bromophenyl)but-1-ynyl-trimethylsilane

C13H17BrSi — CID 10850388

IUPAC4-(2-bromophenyl)but-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCCc1ccccc1Br
InChIInChI=1S/C13H17BrSi/c1-15(2,3)11-7-6-9-12-8-4-5-10-13(12)14/h4-5,8,10H,6,9H2,1-3H3
InChIKeySGYVYBUNFPYQTA-UHFFFAOYSA-N
MW281.27 g/mol
LogP4.26
Rot. Bonds2

About 4-(2-bromophenyl)but-1-ynyl-trimethylsilane

4-(2-bromophenyl)but-1-ynyl-trimethylsilane (PubChem CID 10850388) has the molecular formula C13H17BrSi and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(2-bromophenyl)but-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name4-(2-bromophenyl)but-1-ynyl-trimethylsilane
PubChem CID10850388
Molecular FormulaC13H17BrSi
Molecular Weight281.27 g/mol
Exact Mass280.03
IUPAC Name4-(2-bromophenyl)but-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCCc1ccccc1Br
InChIInChI=1S/C13H17BrSi/c1-15(2,3)11-7-6-9-12-8-4-5-10-13(12)14/h4-5,8,10H,6,9H2,1-3H3
InChIKeySGYVYBUNFPYQTA-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 54.26
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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Related Compounds

5-(2-bromophenyl)pent-1-ynyl-trimethylsilane
CID 10637612
trimethyl(4-phenylselanylbut-1-ynyl)silane
CID 102373937
diethyl 2-[(2-bromophenyl)methyl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 14713451
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine
CID 82489775
[1-[(2-bromophenyl)methyl]-5-(2-trimethylsilylethynyl)triazol-4-yl]-trimethylsilane
CID 176912279
1-(2-bromophenyl)heptane-3,4-diol
CID 83924175
1-bromo-2-hept-2-ynylbenzene
CID 86241945
N-[(2-bromophenyl)methyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 102177565
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)but-1-ynyl-trimethylsilane?
The IUPAC name of 4-(2-bromophenyl)but-1-ynyl-trimethylsilane (CID 10850388) is 4-(2-bromophenyl)but-1-ynyl-trimethylsilane.
What is the SMILES notation for 4-(2-bromophenyl)but-1-ynyl-trimethylsilane?
The canonical SMILES for 4-(2-bromophenyl)but-1-ynyl-trimethylsilane is C[Si](C)(C)C#CCCc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)but-1-ynyl-trimethylsilane?
The InChIKey is SGYVYBUNFPYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrSi/c1-15(2,3)11-7-6-9-12-8-4-5-10-13(12)14/h4-5,8,10H,6,9H2,1-3H3.
What are the key properties of 4-(2-bromophenyl)but-1-ynyl-trimethylsilane?
4-(2-bromophenyl)but-1-ynyl-trimethylsilane has a molecular weight of 281.27 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)but-1-ynyl-trimethylsilane is sourced from PubChem (CID 10850388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).