ethynyl(triphenyl)silane

C20H16Si — CID 642601

IUPACethynyl(triphenyl)silane
SMILESC#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16Si/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h1,3-17H
InChIKeyWADKYPSVXRWORK-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.33
Rot. Bonds3

About ethynyl(triphenyl)silane

ethynyl(triphenyl)silane (PubChem CID 642601) has the molecular formula C20H16Si and a molecular weight of 284.43 g/mol. Its IUPAC name is ethynyl(triphenyl)silane.

Molecular Properties

Compound Nameethynyl(triphenyl)silane
PubChem CID642601
Molecular FormulaC20H16Si
Molecular Weight284.43 g/mol
Exact Mass284.10
IUPAC Nameethynyl(triphenyl)silane
SMILESC#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16Si/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h1,3-17H
InChIKeyWADKYPSVXRWORK-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 ethynyl(triphenyl)silane?
The IUPAC name of ethynyl(triphenyl)silane (CID 642601) is ethynyl(triphenyl)silane.
What is the SMILES notation for ethynyl(triphenyl)silane?
The canonical SMILES for ethynyl(triphenyl)silane is C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethynyl(triphenyl)silane?
The InChIKey is WADKYPSVXRWORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Si/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h1,3-17H.
What are the key properties of ethynyl(triphenyl)silane?
ethynyl(triphenyl)silane has a molecular weight of 284.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl(triphenyl)silane is sourced from PubChem (CID 642601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).