4-iodobut-1-ynyl(trimethyl)silane

C7H13ISi — CID 10422298

IUPAC4-iodobut-1-ynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CCCI
InChIInChI=1S/C7H13ISi/c1-9(2,3)7-5-4-6-8/h4,6H2,1-3H3
InChIKeyAFUSGDYBARURKW-UHFFFAOYSA-N
MW252.17 g/mol
LogP2.69
Rot. Bonds1

About 4-iodobut-1-ynyl(trimethyl)silane

4-iodobut-1-ynyl(trimethyl)silane (PubChem CID 10422298) has the molecular formula C7H13ISi and a molecular weight of 252.17 g/mol. Its IUPAC name is 4-iodobut-1-ynyl(trimethyl)silane.

Molecular Properties

Compound Name4-iodobut-1-ynyl(trimethyl)silane
PubChem CID10422298
Molecular FormulaC7H13ISi
Molecular Weight252.17 g/mol
Exact Mass251.98
IUPAC Name4-iodobut-1-ynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CCCI
InChIInChI=1S/C7H13ISi/c1-9(2,3)7-5-4-6-8/h4,6H2,1-3H3
InChIKeyAFUSGDYBARURKW-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 52.69
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodobut-1-ynyl(trimethyl)silane?
The IUPAC name of 4-iodobut-1-ynyl(trimethyl)silane (CID 10422298) is 4-iodobut-1-ynyl(trimethyl)silane.
What is the SMILES notation for 4-iodobut-1-ynyl(trimethyl)silane?
The canonical SMILES for 4-iodobut-1-ynyl(trimethyl)silane is C[Si](C)(C)C#CCCI.
What is the InChIKey of 4-iodobut-1-ynyl(trimethyl)silane?
The InChIKey is AFUSGDYBARURKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ISi/c1-9(2,3)7-5-4-6-8/h4,6H2,1-3H3.
What are the key properties of 4-iodobut-1-ynyl(trimethyl)silane?
4-iodobut-1-ynyl(trimethyl)silane has a molecular weight of 252.17 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobut-1-ynyl(trimethyl)silane is sourced from PubChem (CID 10422298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).