4-bromobut-2-ynyl(trimethyl)silane

C7H13BrSi — CID 14197781

IUPAC4-bromobut-2-ynyl(trimethyl)silane
SMILESC[Si](C)(C)CC#CCBr
InChIInChI=1S/C7H13BrSi/c1-9(2,3)7-5-4-6-8/h6-7H2,1-3H3
InChIKeyNRAZIJVUQDMBKI-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.72
Rot. Bonds1

About 4-bromobut-2-ynyl(trimethyl)silane

4-bromobut-2-ynyl(trimethyl)silane (PubChem CID 14197781) has the molecular formula C7H13BrSi and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-bromobut-2-ynyl(trimethyl)silane.

Molecular Properties

Compound Name4-bromobut-2-ynyl(trimethyl)silane
PubChem CID14197781
Molecular FormulaC7H13BrSi
Molecular Weight205.17 g/mol
Exact Mass204.00
IUPAC Name4-bromobut-2-ynyl(trimethyl)silane
SMILESC[Si](C)(C)CC#CCBr
InChIInChI=1S/C7H13BrSi/c1-9(2,3)7-5-4-6-8/h6-7H2,1-3H3
InChIKeyNRAZIJVUQDMBKI-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 4-bromobut-2-ynyl(trimethyl)silane?
The IUPAC name of 4-bromobut-2-ynyl(trimethyl)silane (CID 14197781) is 4-bromobut-2-ynyl(trimethyl)silane.
What is the SMILES notation for 4-bromobut-2-ynyl(trimethyl)silane?
The canonical SMILES for 4-bromobut-2-ynyl(trimethyl)silane is C[Si](C)(C)CC#CCBr.
What is the InChIKey of 4-bromobut-2-ynyl(trimethyl)silane?
The InChIKey is NRAZIJVUQDMBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrSi/c1-9(2,3)7-5-4-6-8/h6-7H2,1-3H3.
What are the key properties of 4-bromobut-2-ynyl(trimethyl)silane?
4-bromobut-2-ynyl(trimethyl)silane has a molecular weight of 205.17 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobut-2-ynyl(trimethyl)silane is sourced from PubChem (CID 14197781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).