2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane

C15H21BrSi — CID 14938106

IUPAC2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane
SMILESCC(C)(C)c1cc(Br)cc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C15H21BrSi/c1-15(2,3)13-9-12(10-14(16)11-13)7-8-17(4,5)6/h9-11H,1-6H3
InChIKeySMJZBFRBNMJGCK-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.98
Rot. Bonds

About 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane

2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane (PubChem CID 14938106) has the molecular formula C15H21BrSi and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane
PubChem CID14938106
Molecular FormulaC15H21BrSi
Molecular Weight309.32 g/mol
Exact Mass308.06
IUPAC Name2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane
SMILESCC(C)(C)c1cc(Br)cc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C15H21BrSi/c1-15(2,3)13-9-12(10-14(16)11-13)7-8-17(4,5)6/h9-11H,1-6H3
InChIKeySMJZBFRBNMJGCK-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.98
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

1-Bromo-3-tert-butylbenzene
CID 343798
1-Bromo-3,5-di-tert-butylbenzene
CID 620136
((3-Bromophenyl)ethynyl)trimethylsilane
CID 3683324
1-Bromo-3,5-dihexylbenzene
CID 67002258
[2-(3-Bromo-4-fluorophenyl)ethynyl]trimethylsilane
CID 146155433
5-Bromo-1-tert-butyl-2-fluoro-3-methylbenzene
CID 132542669
2-(3,5-Ditert-butylphenyl)ethynyl-trimethylsilane
CID 338556
[(3S)-3-(3-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
CID 166443560
[(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane
CID 134858271
((4-Bromophenyl)ethynyl)triethylsilane
CID 10803804
2-(3-Bromophenyl)ethynyl-triethylsilane
CID 10851378
3,5-Diisopropylbromobenzene
CID 11630091

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane (CID 14938106) is 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane is CC(C)(C)c1cc(Br)cc(C#C[Si](C)(C)C)c1.
What is the InChIKey of 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane?
The InChIKey is SMJZBFRBNMJGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrSi/c1-15(2,3)13-9-12(10-14(16)11-13)7-8-17(4,5)6/h9-11H,1-6H3.
What are the key properties of 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane?
2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane has a molecular weight of 309.32 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-tert-butylphenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 14938106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).