trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane

C9H16N2Si — CID 68608712

IUPACtrimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane
SMILESCN1C=CN(C#C[Si](C)(C)C)C1
InChIInChI=1S/C9H16N2Si/c1-10-5-6-11(9-10)7-8-12(2,3)4/h5-6H,9H2,1-4H3
InChIKeyCUZCFXZEGSHFOI-UHFFFAOYSA-N
MW180.33 g/mol
LogP1.50
Rot. Bonds

About trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane

trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane (PubChem CID 68608712) has the molecular formula C9H16N2Si and a molecular weight of 180.33 g/mol. Its IUPAC name is trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane
PubChem CID68608712
Molecular FormulaC9H16N2Si
Molecular Weight180.33 g/mol
Exact Mass180.11
IUPAC Nametrimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane
SMILESCN1C=CN(C#C[Si](C)(C)C)C1
InChIInChI=1S/C9H16N2Si/c1-10-5-6-11(9-10)7-8-12(2,3)4/h5-6H,9H2,1-4H3
InChIKeyCUZCFXZEGSHFOI-UHFFFAOYSA-N
XLogP1.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane (CID 68608712) is trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane is CN1C=CN(C#C[Si](C)(C)C)C1.
What is the InChIKey of trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane?
The InChIKey is CUZCFXZEGSHFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2Si/c1-10-5-6-11(9-10)7-8-12(2,3)4/h5-6H,9H2,1-4H3.
What are the key properties of trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane?
trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane has a molecular weight of 180.33 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane is sourced from PubChem (CID 68608712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).