4-iodobut-1-ynyl-tri(propan-2-yl)silane

C13H25ISi — CID 10854318

IUPAC4-iodobut-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCI)(C(C)C)C(C)C
InChIInChI=1S/C13H25ISi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-13H,7,9H2,1-6H3
InChIKeyZZFPVXFDBNLNLC-UHFFFAOYSA-N
MW336.33 g/mol
LogP5.03
Rot. Bonds4

About 4-iodobut-1-ynyl-tri(propan-2-yl)silane

4-iodobut-1-ynyl-tri(propan-2-yl)silane (PubChem CID 10854318) has the molecular formula C13H25ISi and a molecular weight of 336.33 g/mol. Its IUPAC name is 4-iodobut-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name4-iodobut-1-ynyl-tri(propan-2-yl)silane
PubChem CID10854318
Molecular FormulaC13H25ISi
Molecular Weight336.33 g/mol
Exact Mass336.08
IUPAC Name4-iodobut-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCI)(C(C)C)C(C)C
InChIInChI=1S/C13H25ISi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-13H,7,9H2,1-6H3
InChIKeyZZFPVXFDBNLNLC-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.33
LogP ≤ 55.03
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-tri(propan-2-yl)silane?
The IUPAC name of 4-iodobut-1-ynyl-tri(propan-2-yl)silane (CID 10854318) is 4-iodobut-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 4-iodobut-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 4-iodobut-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCCI)(C(C)C)C(C)C.
What is the InChIKey of 4-iodobut-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is ZZFPVXFDBNLNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ISi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h11-13H,7,9H2,1-6H3.
What are the key properties of 4-iodobut-1-ynyl-tri(propan-2-yl)silane?
4-iodobut-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 336.33 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobut-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 10854318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).