4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane

C13H13BrSi — CID 135042328

IUPAC4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC#Cc1ccc(Br)cc1
InChIInChI=1S/C13H13BrSi/c1-15(2,3)11-5-4-6-12-7-9-13(14)10-8-12/h7-10H,1-3H3
InChIKeyRLIAGVOKCVZANN-UHFFFAOYSA-N
MW277.24 g/mol
LogP3.68
Rot. Bonds

About 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane

4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane (PubChem CID 135042328) has the molecular formula C13H13BrSi and a molecular weight of 277.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane.

Molecular Properties

Compound Name4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane
PubChem CID135042328
Molecular FormulaC13H13BrSi
Molecular Weight277.24 g/mol
Exact Mass276.00
IUPAC Name4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC#Cc1ccc(Br)cc1
InChIInChI=1S/C13H13BrSi/c1-15(2,3)11-5-4-6-12-7-9-13(14)10-8-12/h7-10H,1-3H3
InChIKeyRLIAGVOKCVZANN-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.68
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

4-Bromotoluene
CID 7805
1-Bromo-4-ethylbenzene
CID 15313
4-Bromostyrene
CID 16263
1-Bromo-4-propylbenzene
CID 136374
Benzene, 1-bromo-4-ethynyl-
CID 136603
1-Bromo-4-butylbenzene
CID 521059
1-Bromo-4-(2-methylpropyl)benzene
CID 3789018
Benzene, 1-bromo-4-(2-propenyl)-
CID 137529
1-Bromo-4-(prop-1-en-2-yl)benzene
CID 3614410
p-Bromophenyloctane
CID 142854
1-Bromo-4-(1-propynyl)benzene
CID 575587
1,4-Bis(4-bromophenyl)-1,3-butadiyne
CID 632304

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane?
The IUPAC name of 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane (CID 135042328) is 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane.
What is the SMILES notation for 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane?
The canonical SMILES for 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane is C[Si](C)(C)C#CC#Cc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane?
The InChIKey is RLIAGVOKCVZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrSi/c1-15(2,3)11-5-4-6-12-7-9-13(14)10-8-12/h7-10H,1-3H3.
What are the key properties of 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane?
4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane has a molecular weight of 277.24 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)buta-1,3-diynyl-trimethylsilane is sourced from PubChem (CID 135042328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).