dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane

C21H28OSi2 — CID 101122048

IUPACdimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane
SMILESC=C(/C=C(/O[Si](C)(C)C)[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28OSi2/c1-18(19-13-9-7-10-14-19)17-21(22-23(2,3)4)24(5,6)20-15-11-8-12-16-20/h7-17H,1H2,2-6H3/b21-17-
InChIKeyLWGXJMHEXIZLOW-FXBPSFAMSA-N
MW352.63 g/mol
LogP5.59
Rot. Bonds6

About dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane

dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane (PubChem CID 101122048) has the molecular formula C21H28OSi2 and a molecular weight of 352.63 g/mol. Its IUPAC name is dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane
PubChem CID101122048
Molecular FormulaC21H28OSi2
Molecular Weight352.63 g/mol
Exact Mass352.17
IUPAC Namedimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane
SMILESC=C(/C=C(/O[Si](C)(C)C)[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28OSi2/c1-18(19-13-9-7-10-14-19)17-21(22-23(2,3)4)24(5,6)20-15-11-8-12-16-20/h7-17H,1H2,2-6H3/b21-17-
InChIKeyLWGXJMHEXIZLOW-FXBPSFAMSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.63
LogP ≤ 55.59
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 dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane?
The IUPAC name of dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane (CID 101122048) is dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane.
What is the SMILES notation for dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane?
The canonical SMILES for dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane is C=C(/C=C(/O[Si](C)(C)C)[Si](C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane?
The InChIKey is LWGXJMHEXIZLOW-FXBPSFAMSA-N. The full InChI is InChI=1S/C21H28OSi2/c1-18(19-13-9-7-10-14-19)17-21(22-23(2,3)4)24(5,6)20-15-11-8-12-16-20/h7-17H,1H2,2-6H3/b21-17-.
What are the key properties of dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane?
dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane has a molecular weight of 352.63 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane is sourced from PubChem (CID 101122048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).