trimethyl-[2-(4-phenylphenyl)ethynyl]silane

C17H18Si — CID 12579655

IUPACtrimethyl-[2-(4-phenylphenyl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18Si/c1-18(2,3)14-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKeyYJXLVEMDFSRFPS-UHFFFAOYSA-N
MW250.42 g/mol
LogP4.58
Rot. Bonds1

About trimethyl-[2-(4-phenylphenyl)ethynyl]silane

trimethyl-[2-(4-phenylphenyl)ethynyl]silane (PubChem CID 12579655) has the molecular formula C17H18Si and a molecular weight of 250.42 g/mol. Its IUPAC name is trimethyl-[2-(4-phenylphenyl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-phenylphenyl)ethynyl]silane
PubChem CID12579655
Molecular FormulaC17H18Si
Molecular Weight250.42 g/mol
Exact Mass250.12
IUPAC Nametrimethyl-[2-(4-phenylphenyl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18Si/c1-18(2,3)14-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKeyYJXLVEMDFSRFPS-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
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-(4-phenylphenyl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(4-phenylphenyl)ethynyl]silane (CID 12579655) is trimethyl-[2-(4-phenylphenyl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(4-phenylphenyl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(4-phenylphenyl)ethynyl]silane is C[Si](C)(C)C#Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of trimethyl-[2-(4-phenylphenyl)ethynyl]silane?
The InChIKey is YJXLVEMDFSRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Si/c1-18(2,3)14-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,1-3H3.
What are the key properties of trimethyl-[2-(4-phenylphenyl)ethynyl]silane?
trimethyl-[2-(4-phenylphenyl)ethynyl]silane has a molecular weight of 250.42 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-phenylphenyl)ethynyl]silane is sourced from PubChem (CID 12579655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).