5-bromopent-1-ynyl-tert-butyl-dimethylsilane

C11H21BrSi — CID 54756896

IUPAC5-bromopent-1-ynyl-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCCCBr
InChIInChI=1S/C11H21BrSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h6-7,9H2,1-5H3
InChIKeyWREKJMNCVBIQKH-UHFFFAOYSA-N
MW261.28 g/mol
LogP4.21
Rot. Bonds2

About 5-bromopent-1-ynyl-tert-butyl-dimethylsilane

5-bromopent-1-ynyl-tert-butyl-dimethylsilane (PubChem CID 54756896) has the molecular formula C11H21BrSi and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-bromopent-1-ynyl-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name5-bromopent-1-ynyl-tert-butyl-dimethylsilane
PubChem CID54756896
Molecular FormulaC11H21BrSi
Molecular Weight261.28 g/mol
Exact Mass260.06
IUPAC Name5-bromopent-1-ynyl-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCCCBr
InChIInChI=1S/C11H21BrSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h6-7,9H2,1-5H3
InChIKeyWREKJMNCVBIQKH-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromopent-1-ynyl-tert-butyl-dimethylsilane?
The IUPAC name of 5-bromopent-1-ynyl-tert-butyl-dimethylsilane (CID 54756896) is 5-bromopent-1-ynyl-tert-butyl-dimethylsilane.
What is the SMILES notation for 5-bromopent-1-ynyl-tert-butyl-dimethylsilane?
The canonical SMILES for 5-bromopent-1-ynyl-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)C#CCCCBr.
What is the InChIKey of 5-bromopent-1-ynyl-tert-butyl-dimethylsilane?
The InChIKey is WREKJMNCVBIQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h6-7,9H2,1-5H3.
What are the key properties of 5-bromopent-1-ynyl-tert-butyl-dimethylsilane?
5-bromopent-1-ynyl-tert-butyl-dimethylsilane has a molecular weight of 261.28 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopent-1-ynyl-tert-butyl-dimethylsilane is sourced from PubChem (CID 54756896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).