tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane

C11H19IOSi — CID 11359151

IUPACtert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C#CI
InChIInChI=1S/C11H19IOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6,8H,10H2,1-5H3/b8-6+
InChIKeyKBNZSZDLWNRIHF-SOFGYWHQSA-N
MW322.26 g/mol
LogP3.96
Rot. Bonds3

About tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane

tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane (PubChem CID 11359151) has the molecular formula C11H19IOSi and a molecular weight of 322.26 g/mol. Its IUPAC name is tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane
PubChem CID11359151
Molecular FormulaC11H19IOSi
Molecular Weight322.26 g/mol
Exact Mass322.02
IUPAC Nametert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C#CI
InChIInChI=1S/C11H19IOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6,8H,10H2,1-5H3/b8-6+
InChIKeyKBNZSZDLWNRIHF-SOFGYWHQSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane (CID 11359151) is tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/C#CI.
What is the InChIKey of tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane?
The InChIKey is KBNZSZDLWNRIHF-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H19IOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6,8H,10H2,1-5H3/b8-6+.
What are the key properties of tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane?
tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane has a molecular weight of 322.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-iodopent-2-en-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 11359151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).