[(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane

C26H32Si — CID 177416045

IUPAC[(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane
SMILESCC[Si](C#C/C(C)=C(C(/C)=C/c1ccccc1)\c1ccccc1)(CC)CC
InChIInChI=1S/C26H32Si/c1-6-27(7-2,8-3)20-19-22(4)26(25-17-13-10-14-18-25)23(5)21-24-15-11-9-12-16-24/h9-18,21H,6-8H2,1-5H3/b23-21+,26-22-
InChIKeyXFDFTQNGSNNKPR-AFJMYHGUSA-N
MW372.63 g/mol
LogP7.61
Rot. Bonds6

About [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane

[(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane (PubChem CID 177416045) has the molecular formula C26H32Si and a molecular weight of 372.63 g/mol. Its IUPAC name is [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane.

Molecular Properties

Compound Name[(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane
PubChem CID177416045
Molecular FormulaC26H32Si
Molecular Weight372.63 g/mol
Exact Mass372.23
IUPAC Name[(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane
SMILESCC[Si](C#C/C(C)=C(C(/C)=C/c1ccccc1)\c1ccccc1)(CC)CC
InChIInChI=1S/C26H32Si/c1-6-27(7-2,8-3)20-19-22(4)26(25-17-13-10-14-18-25)23(5)21-24-15-11-9-12-16-24/h9-18,21H,6-8H2,1-5H3/b23-21+,26-22-
InChIKeyXFDFTQNGSNNKPR-AFJMYHGUSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane?
The IUPAC name of [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane (CID 177416045) is [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane.
What is the SMILES notation for [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane?
The canonical SMILES for [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane is CC[Si](C#C/C(C)=C(C(/C)=C/c1ccccc1)\c1ccccc1)(CC)CC.
What is the InChIKey of [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane?
The InChIKey is XFDFTQNGSNNKPR-AFJMYHGUSA-N. The full InChI is InChI=1S/C26H32Si/c1-6-27(7-2,8-3)20-19-22(4)26(25-17-13-10-14-18-25)23(5)21-24-15-11-9-12-16-24/h9-18,21H,6-8H2,1-5H3/b23-21+,26-22-.
What are the key properties of [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane?
[(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane has a molecular weight of 372.63 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane is sourced from PubChem (CID 177416045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).