(3-Ethynylphenyl)(dimethyl)silane

C10H11Si — CID 119078863

IUPAC—
SMILESC#Cc1cccc([Si](C)C)c1
InChIInChI=1S/C10H11Si/c1-4-9-6-5-7-10(8-9)11(2)3/h1,5-8H,2-3H3
InChIKeyXZDIUQUWPOYQNS-UHFFFAOYSA-N
MW159.28 g/mol
LogP1.63
Rot. Bonds1

About (3-Ethynylphenyl)(dimethyl)silane

(3-Ethynylphenyl)(dimethyl)silane (PubChem CID 119078863) has the molecular formula C10H11Si and a molecular weight of 159.28 g/mol.

Molecular Properties

Compound Name(3-Ethynylphenyl)(dimethyl)silane
PubChem CID119078863
Molecular FormulaC10H11Si
Molecular Weight159.28 g/mol
Exact Mass159.06
IUPAC Name—
SMILESC#Cc1cccc([Si](C)C)c1
InChIInChI=1S/C10H11Si/c1-4-9-6-5-7-10(8-9)11(2)3/h1,5-8H,2-3H3
InChIKeyXZDIUQUWPOYQNS-UHFFFAOYSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.63
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'}

Analyze (3-Ethynylphenyl)(dimethyl)silane 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 (3-Ethynylphenyl)(dimethyl)silane?
The IUPAC name of (3-Ethynylphenyl)(dimethyl)silane (CID 119078863) is not available.
What is the SMILES notation for (3-Ethynylphenyl)(dimethyl)silane?
The canonical SMILES for (3-Ethynylphenyl)(dimethyl)silane is C#Cc1cccc([Si](C)C)c1.
What is the InChIKey of (3-Ethynylphenyl)(dimethyl)silane?
The InChIKey is XZDIUQUWPOYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Si/c1-4-9-6-5-7-10(8-9)11(2)3/h1,5-8H,2-3H3.
What are the key properties of (3-Ethynylphenyl)(dimethyl)silane?
(3-Ethynylphenyl)(dimethyl)silane has a molecular weight of 159.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-Ethynylphenyl)(dimethyl)silane is sourced from PubChem (CID 119078863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).