trimethyl-[4-(2-phenylethynyl)phenyl]silane

C17H18Si — CID 21093331

IUPACtrimethyl-[4-(2-phenylethynyl)phenyl]silane
SMILESC[Si](C)(C)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C17H18Si/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3
InChIKeyUZRJWRFLYPENFH-UHFFFAOYSA-N
MW250.42 g/mol
LogP3.63
Rot. Bonds1

About trimethyl-[4-(2-phenylethynyl)phenyl]silane

trimethyl-[4-(2-phenylethynyl)phenyl]silane (PubChem CID 21093331) has the molecular formula C17H18Si and a molecular weight of 250.42 g/mol. Its IUPAC name is trimethyl-[4-(2-phenylethynyl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(2-phenylethynyl)phenyl]silane
PubChem CID21093331
Molecular FormulaC17H18Si
Molecular Weight250.42 g/mol
Exact Mass250.12
IUPAC Nametrimethyl-[4-(2-phenylethynyl)phenyl]silane
SMILESC[Si](C)(C)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C17H18Si/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3
InChIKeyUZRJWRFLYPENFH-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 53.63
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-[4-(2-phenylethynyl)phenyl]silane?
The IUPAC name of trimethyl-[4-(2-phenylethynyl)phenyl]silane (CID 21093331) is trimethyl-[4-(2-phenylethynyl)phenyl]silane.
What is the SMILES notation for trimethyl-[4-(2-phenylethynyl)phenyl]silane?
The canonical SMILES for trimethyl-[4-(2-phenylethynyl)phenyl]silane is C[Si](C)(C)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of trimethyl-[4-(2-phenylethynyl)phenyl]silane?
The InChIKey is UZRJWRFLYPENFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Si/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3.
What are the key properties of trimethyl-[4-(2-phenylethynyl)phenyl]silane?
trimethyl-[4-(2-phenylethynyl)phenyl]silane has a molecular weight of 250.42 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2-phenylethynyl)phenyl]silane is sourced from PubChem (CID 21093331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).