[(E)-oct-3-en-1-ynyl]-triphenylsilane

C26H26Si — CID 166436806

IUPAC[(E)-oct-3-en-1-ynyl]-triphenylsilane
SMILESCCCC/C=C/C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26Si/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h5-15,17-22H,2-4H2,1H3/b6-5+
InChIKeyBKVHAZQEJOKPOY-AATRIKPKSA-N
MW366.58 g/mol
LogP4.45
Rot. Bonds6

About [(E)-oct-3-en-1-ynyl]-triphenylsilane

[(E)-oct-3-en-1-ynyl]-triphenylsilane (PubChem CID 166436806) has the molecular formula C26H26Si and a molecular weight of 366.58 g/mol. Its IUPAC name is [(E)-oct-3-en-1-ynyl]-triphenylsilane.

Molecular Properties

Compound Name[(E)-oct-3-en-1-ynyl]-triphenylsilane
PubChem CID166436806
Molecular FormulaC26H26Si
Molecular Weight366.58 g/mol
Exact Mass366.18
IUPAC Name[(E)-oct-3-en-1-ynyl]-triphenylsilane
SMILESCCCC/C=C/C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26Si/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h5-15,17-22H,2-4H2,1H3/b6-5+
InChIKeyBKVHAZQEJOKPOY-AATRIKPKSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-oct-3-en-1-ynyl]-triphenylsilane?
The IUPAC name of [(E)-oct-3-en-1-ynyl]-triphenylsilane (CID 166436806) is [(E)-oct-3-en-1-ynyl]-triphenylsilane.
What is the SMILES notation for [(E)-oct-3-en-1-ynyl]-triphenylsilane?
The canonical SMILES for [(E)-oct-3-en-1-ynyl]-triphenylsilane is CCCC/C=C/C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-oct-3-en-1-ynyl]-triphenylsilane?
The InChIKey is BKVHAZQEJOKPOY-AATRIKPKSA-N. The full InChI is InChI=1S/C26H26Si/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h5-15,17-22H,2-4H2,1H3/b6-5+.
What are the key properties of [(E)-oct-3-en-1-ynyl]-triphenylsilane?
[(E)-oct-3-en-1-ynyl]-triphenylsilane has a molecular weight of 366.58 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-3-en-1-ynyl]-triphenylsilane is sourced from PubChem (CID 166436806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).