trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane

C17H24Si — CID 71663368

IUPACtrimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
SMILESCCCC/C=C(/C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C17H24Si/c1-5-6-8-11-17(14-15-18(2,3)4)16-12-9-7-10-13-16/h7,9-13H,5-6,8H2,1-4H3/b17-11-
InChIKeyYPGADTCLBWJYBG-BOPFTXTBSA-N
MW256.46 g/mol
LogP5.14
Rot. Bonds4

About trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane

trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane (PubChem CID 71663368) has the molecular formula C17H24Si and a molecular weight of 256.46 g/mol. Its IUPAC name is trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
PubChem CID71663368
Molecular FormulaC17H24Si
Molecular Weight256.46 g/mol
Exact Mass256.16
IUPAC Nametrimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
SMILESCCCC/C=C(/C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C17H24Si/c1-5-6-8-11-17(14-15-18(2,3)4)16-12-9-7-10-13-16/h7,9-13H,5-6,8H2,1-4H3/b17-11-
InChIKeyYPGADTCLBWJYBG-BOPFTXTBSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.46
LogP ≤ 55.14
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane (CID 71663368) is trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane is CCCC/C=C(/C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane?
The InChIKey is YPGADTCLBWJYBG-BOPFTXTBSA-N. The full InChI is InChI=1S/C17H24Si/c1-5-6-8-11-17(14-15-18(2,3)4)16-12-9-7-10-13-16/h7,9-13H,5-6,8H2,1-4H3/b17-11-.
What are the key properties of trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane?
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane has a molecular weight of 256.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane is sourced from PubChem (CID 71663368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).