2-(3,5-dichlorophenyl)ethynyl-trimethylsilane

C11H12Cl2Si — CID 22570337

IUPAC2-(3,5-dichlorophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2Si/c1-14(2,3)5-4-9-6-10(12)8-11(13)7-9/h6-8H,1-3H3
InChIKeyLUVVEBDARCWRJP-UHFFFAOYSA-N
MW243.21 g/mol
LogP4.22
Rot. Bonds

About 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane

2-(3,5-dichlorophenyl)ethynyl-trimethylsilane (PubChem CID 22570337) has the molecular formula C11H12Cl2Si and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)ethynyl-trimethylsilane
PubChem CID22570337
Molecular FormulaC11H12Cl2Si
Molecular Weight243.21 g/mol
Exact Mass242.01
IUPAC Name2-(3,5-dichlorophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2Si/c1-14(2,3)5-4-9-6-10(12)8-11(13)7-9/h6-8H,1-3H3
InChIKeyLUVVEBDARCWRJP-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 54.22
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-(3,5-dichlorophenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane (CID 22570337) is 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane?
The InChIKey is LUVVEBDARCWRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2Si/c1-14(2,3)5-4-9-6-10(12)8-11(13)7-9/h6-8H,1-3H3.
What are the key properties of 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane?
2-(3,5-dichlorophenyl)ethynyl-trimethylsilane has a molecular weight of 243.21 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 22570337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).