2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane

C13H16Si2 — CID 123901120

IUPAC2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane
SMILESC#C[Si](C)(C#C[SiH](C)C)c1ccccc1
InChIInChI=1S/C13H16Si2/c1-5-15(4,12-11-14(2)3)13-9-7-6-8-10-13/h1,6-10,14H,2-4H3
InChIKeyMTQUTKFMTXUJMR-UHFFFAOYSA-N
MW228.44 g/mol
LogP1.71
Rot. Bonds1

About 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane

2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane (PubChem CID 123901120) has the molecular formula C13H16Si2 and a molecular weight of 228.44 g/mol. Its IUPAC name is 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane.

Molecular Properties

Compound Name2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane
PubChem CID123901120
Molecular FormulaC13H16Si2
Molecular Weight228.44 g/mol
Exact Mass228.08
IUPAC Name2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane
SMILESC#C[Si](C)(C#C[SiH](C)C)c1ccccc1
InChIInChI=1S/C13H16Si2/c1-5-15(4,12-11-14(2)3)13-9-7-6-8-10-13/h1,6-10,14H,2-4H3
InChIKeyMTQUTKFMTXUJMR-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.44
LogP ≤ 51.71
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 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane?
The IUPAC name of 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane (CID 123901120) is 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane.
What is the SMILES notation for 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane?
The canonical SMILES for 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane is C#C[Si](C)(C#C[SiH](C)C)c1ccccc1.
What is the InChIKey of 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane?
The InChIKey is MTQUTKFMTXUJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Si2/c1-5-15(4,12-11-14(2)3)13-9-7-6-8-10-13/h1,6-10,14H,2-4H3.
What are the key properties of 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane?
2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane has a molecular weight of 228.44 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane is sourced from PubChem (CID 123901120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).