tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane

C10H21IOSi — CID 11833923

IUPACtert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/I
InChIInChI=1S/C10H21IOSi/c1-10(2,3)13(4,5)12-9-7-6-8-11/h6,8H,7,9H2,1-5H3/b8-6+
InChIKeyKMGHBJQKUTZGJI-SOFGYWHQSA-N
MW312.27 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane

tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane (PubChem CID 11833923) has the molecular formula C10H21IOSi and a molecular weight of 312.27 g/mol. Its IUPAC name is tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane
PubChem CID11833923
Molecular FormulaC10H21IOSi
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Nametert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/I
InChIInChI=1S/C10H21IOSi/c1-10(2,3)13(4,5)12-9-7-6-8-11/h6,8H,7,9H2,1-5H3/b8-6+
InChIKeyKMGHBJQKUTZGJI-SOFGYWHQSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane (CID 11833923) is tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC/C=C/I.
What is the InChIKey of tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane?
The InChIKey is KMGHBJQKUTZGJI-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H21IOSi/c1-10(2,3)13(4,5)12-9-7-6-8-11/h6,8H,7,9H2,1-5H3/b8-6+.
What are the key properties of tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane?
tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane has a molecular weight of 312.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane is sourced from PubChem (CID 11833923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).