[(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane

C20H24OSi — CID 11066817

IUPAC[(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane
SMILESC=C/C=C/O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h5-17H,1H2,2-4H3/b17-6+
InChIKeyAWWLMZVOXPIMRH-UBKPWBPPSA-N
MW308.50 g/mol
LogP4.26
Rot. Bonds5

About [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane

[(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane (PubChem CID 11066817) has the molecular formula C20H24OSi and a molecular weight of 308.50 g/mol. Its IUPAC name is [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane
PubChem CID11066817
Molecular FormulaC20H24OSi
Molecular Weight308.50 g/mol
Exact Mass308.16
IUPAC Name[(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane
SMILESC=C/C=C/O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h5-17H,1H2,2-4H3/b17-6+
InChIKeyAWWLMZVOXPIMRH-UBKPWBPPSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane (CID 11066817) is [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane is C=C/C=C/O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane?
The InChIKey is AWWLMZVOXPIMRH-UBKPWBPPSA-N. The full InChI is InChI=1S/C20H24OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h5-17H,1H2,2-4H3/b17-6+.
What are the key properties of [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane?
[(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane has a molecular weight of 308.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-buta-1,3-dienoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11066817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).