[(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane

C15H22O2Si — CID 177433215

IUPAC[(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(/OCC)O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-6-16-15(17-18(3,4)5)12-13(2)14-10-8-7-9-11-14/h7-12H,2,6H2,1,3-5H3/b15-12-
InChIKeyXFFCOHMFCRUTGX-QINSGFPZSA-N
MW262.42 g/mol
LogP4.43
Rot. Bonds6

About [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane

[(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane (PubChem CID 177433215) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane
PubChem CID177433215
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name[(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(/OCC)O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-6-16-15(17-18(3,4)5)12-13(2)14-10-8-7-9-11-14/h7-12H,2,6H2,1,3-5H3/b15-12-
InChIKeyXFFCOHMFCRUTGX-QINSGFPZSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane (CID 177433215) is [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane is C=C(/C=C(/OCC)O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is XFFCOHMFCRUTGX-QINSGFPZSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-6-16-15(17-18(3,4)5)12-13(2)14-10-8-7-9-11-14/h7-12H,2,6H2,1,3-5H3/b15-12-.
What are the key properties of [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane?
[(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 262.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 177433215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).