4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane

C13H21ISi — CID 15526228

IUPAC4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC#CI)(C(C)C)C(C)C
InChIInChI=1S/C13H21ISi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-13H,1-6H3
InChIKeyZQKMFEQDPPLOHR-UHFFFAOYSA-N
MW332.30 g/mol
LogP4.60
Rot. Bonds3

About 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane

4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane (PubChem CID 15526228) has the molecular formula C13H21ISi and a molecular weight of 332.30 g/mol. Its IUPAC name is 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane
PubChem CID15526228
Molecular FormulaC13H21ISi
Molecular Weight332.30 g/mol
Exact Mass332.05
IUPAC Name4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC#CI)(C(C)C)C(C)C
InChIInChI=1S/C13H21ISi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-13H,1-6H3
InChIKeyZQKMFEQDPPLOHR-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-iodobuta-1,3-diynyl-tri(propan-2-yl)silane?
The IUPAC name of 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane (CID 15526228) is 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane?
The canonical SMILES for 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CC#CI)(C(C)C)C(C)C.
What is the InChIKey of 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane?
The InChIKey is ZQKMFEQDPPLOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ISi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-13H,1-6H3.
What are the key properties of 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane?
4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane has a molecular weight of 332.30 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobuta-1,3-diynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 15526228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).