(4-ethynylphenyl)-trimethylsilane

C11H14Si — CID 22627839

IUPAC(4-ethynylphenyl)-trimethylsilane
SMILESC#Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C11H14Si/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3
InChIKeyOUJWQLJTMSFUJI-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.21
Rot. Bonds1

About (4-ethynylphenyl)-trimethylsilane

(4-ethynylphenyl)-trimethylsilane (PubChem CID 22627839) has the molecular formula C11H14Si and a molecular weight of 174.32 g/mol. Its IUPAC name is (4-ethynylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(4-ethynylphenyl)-trimethylsilane
PubChem CID22627839
Molecular FormulaC11H14Si
Molecular Weight174.32 g/mol
Exact Mass174.09
IUPAC Name(4-ethynylphenyl)-trimethylsilane
SMILESC#Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C11H14Si/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3
InChIKeyOUJWQLJTMSFUJI-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.21
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 (4-ethynylphenyl)-trimethylsilane?
The IUPAC name of (4-ethynylphenyl)-trimethylsilane (CID 22627839) is (4-ethynylphenyl)-trimethylsilane.
What is the SMILES notation for (4-ethynylphenyl)-trimethylsilane?
The canonical SMILES for (4-ethynylphenyl)-trimethylsilane is C#Cc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of (4-ethynylphenyl)-trimethylsilane?
The InChIKey is OUJWQLJTMSFUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Si/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3.
What are the key properties of (4-ethynylphenyl)-trimethylsilane?
(4-ethynylphenyl)-trimethylsilane has a molecular weight of 174.32 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynylphenyl)-trimethylsilane is sourced from PubChem (CID 22627839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).