Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane

C₇H₁₄ClN₂Si+ — CID 153323826

About Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane

Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane (PubChem CID 153323826) has the molecular formula C₇H₁₄ClN₂Si+ and a molecular weight of 189.74 g/mol. Its IUPAC name is chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane.

Molecular Properties

• Compound Name: Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane
• PubChem CID: 153323826
• Molecular Formula: C₇H₁₄ClN₂Si+
• Molecular Weight: 189.74 g/mol
• Exact Mass: 189.06
• IUPAC Name: chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane
• SMILES: C[n+]1ccn(C[Si](C)(C)Cl)c1
• InChI: InChI=1S/C7H14ClN2Si/c1-9-4-5-10(6-9)7-11(2,3)8/h4-6H,7H2,1-3H3/q+1
• InChIKey: YTDZCECYXOSECU-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 8.81 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	189.74
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane?

The IUPAC name of Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane (CID 153323826) is chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane.

What is the SMILES notation for Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane?

The canonical SMILES for Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane is C[n+]1ccn(C[Si](C)(C)Cl)c1.

What is the InChIKey of Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane?

The InChIKey is YTDZCECYXOSECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN2Si/c1-9-4-5-10(6-9)7-11(2,3)8/h4-6H,7H2,1-3H3/q+1.

What are the key properties of Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane?

Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane has a molecular weight of 189.74 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane is sourced from PubChem (CID 153323826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153323826 — identifiers, structure, computed properties (public domain)

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