trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane

C19H18Si — CID 15645299

IUPACtrimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccccc1C#Cc1ccccc1
InChIInChI=1S/C19H18Si/c1-20(2,3)16-15-19-12-8-7-11-18(19)14-13-17-9-5-4-6-10-17/h4-12H,1-3H3
InChIKeyTVYOTROVMZNWRE-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.32
Rot. Bonds

About trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane

trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane (PubChem CID 15645299) has the molecular formula C19H18Si and a molecular weight of 274.44 g/mol. Its IUPAC name is trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane
PubChem CID15645299
Molecular FormulaC19H18Si
Molecular Weight274.44 g/mol
Exact Mass274.12
IUPAC Nametrimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccccc1C#Cc1ccccc1
InChIInChI=1S/C19H18Si/c1-20(2,3)16-15-19-12-8-7-11-18(19)14-13-17-9-5-4-6-10-17/h4-12H,1-3H3
InChIKeyTVYOTROVMZNWRE-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane (CID 15645299) is trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1ccccc1C#Cc1ccccc1.
What is the InChIKey of trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane?
The InChIKey is TVYOTROVMZNWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Si/c1-20(2,3)16-15-19-12-8-7-11-18(19)14-13-17-9-5-4-6-10-17/h4-12H,1-3H3.
What are the key properties of trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane?
trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane has a molecular weight of 274.44 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-(2-phenylethynyl)phenyl]ethynyl]silane is sourced from PubChem (CID 15645299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).