2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane

C15H15BrSi — CID 122403339

IUPAC2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc2ccccc2cc1Br
InChIInChI=1S/C15H15BrSi/c1-17(2,3)9-8-14-10-12-6-4-5-7-13(12)11-15(14)16/h4-7,10-11H,1-3H3
InChIKeyXRINQCXLNKPRIK-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.83
Rot. Bonds

About 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane

2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane (PubChem CID 122403339) has the molecular formula C15H15BrSi and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane
PubChem CID122403339
Molecular FormulaC15H15BrSi
Molecular Weight303.28 g/mol
Exact Mass302.01
IUPAC Name2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc2ccccc2cc1Br
InChIInChI=1S/C15H15BrSi/c1-17(2,3)9-8-14-10-12-6-4-5-7-13(12)11-15(14)16/h4-7,10-11H,1-3H3
InChIKeyXRINQCXLNKPRIK-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.83
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

9-Bromophenanthrene
CID 11309
9-Bromoanthracene
CID 74062
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromo-2-methylnaphthalene
CID 75754
1-Bromo-4-methylnaphthalene
CID 81112
9-Bromo-10-methylanthracene
CID 5077898
2-Bromoanthracene
CID 12346099
3-Bromophenanthrene
CID 96767
2-Bromo-1-methylnaphthalene
CID 12433511
1-Bromo-7-methylnaphthalene
CID 347354
1-Bromo-6-methylnaphthalene
CID 640593
2-Bromo-6-methylnaphthalene
CID 640592

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane (CID 122403339) is 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc2ccccc2cc1Br.
What is the InChIKey of 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane?
The InChIKey is XRINQCXLNKPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrSi/c1-17(2,3)9-8-14-10-12-6-4-5-7-13(12)11-15(14)16/h4-7,10-11H,1-3H3.
What are the key properties of 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane?
2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane has a molecular weight of 303.28 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromonaphthalen-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 122403339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).