2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane

C13H19BrSi — CID 10731665

IUPAC2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1=C(Br)C2CCC1CC2
InChIInChI=1S/C13H19BrSi/c1-15(2,3)9-8-12-10-4-6-11(7-5-10)13(12)14/h10-11H,4-7H2,1-3H3
InChIKeyDSYJMANKDSFWIL-UHFFFAOYSA-N
MW283.28 g/mol
LogP4.34
Rot. Bonds

About 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane

2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane (PubChem CID 10731665) has the molecular formula C13H19BrSi and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane
PubChem CID10731665
Molecular FormulaC13H19BrSi
Molecular Weight283.28 g/mol
Exact Mass282.04
IUPAC Name2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1=C(Br)C2CCC1CC2
InChIInChI=1S/C13H19BrSi/c1-15(2,3)9-8-12-10-4-6-11(7-5-10)13(12)14/h10-11H,4-7H2,1-3H3
InChIKeyDSYJMANKDSFWIL-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 54.34
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

Trimethyl-[2-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
CID 10685655

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane (CID 10731665) is 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane is C[Si](C)(C)C#CC1=C(Br)C2CCC1CC2.
What is the InChIKey of 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane?
The InChIKey is DSYJMANKDSFWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrSi/c1-15(2,3)9-8-12-10-4-6-11(7-5-10)13(12)14/h10-11H,4-7H2,1-3H3.
What are the key properties of 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane?
2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane has a molecular weight of 283.28 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-bicyclo[2.2.2]oct-2-enyl)ethynyl-trimethylsilane is sourced from PubChem (CID 10731665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).