2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane

C15H22SSi — CID 15294480

IUPAC2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane
SMILESCC(C)(C)Sc1cccc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C15H22SSi/c1-15(2,3)16-14-9-7-8-13(12-14)10-11-17(4,5)6/h7-9,12H,1-6H3
InChIKeyBVSNZCWCUKZUCH-UHFFFAOYSA-N
MW262.49 g/mol
LogP4.81
Rot. Bonds1

About 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane

2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane (PubChem CID 15294480) has the molecular formula C15H22SSi and a molecular weight of 262.49 g/mol. Its IUPAC name is 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane
PubChem CID15294480
Molecular FormulaC15H22SSi
Molecular Weight262.49 g/mol
Exact Mass262.12
IUPAC Name2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane
SMILESCC(C)(C)Sc1cccc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C15H22SSi/c1-15(2,3)16-14-9-7-8-13(12-14)10-11-17(4,5)6/h7-9,12H,1-6H3
InChIKeyBVSNZCWCUKZUCH-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane (CID 15294480) is 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane is CC(C)(C)Sc1cccc(C#C[Si](C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane?
The InChIKey is BVSNZCWCUKZUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22SSi/c1-15(2,3)16-14-9-7-8-13(12-14)10-11-17(4,5)6/h7-9,12H,1-6H3.
What are the key properties of 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane?
2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane has a molecular weight of 262.49 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 15294480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).