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

C7H14ClN2Si+ — CID 153323826

IUPACchloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane
SMILESC[n+]1ccn(C[Si](C)(C)Cl)c1
InChIInChI=1S/C7H14ClN2Si/c1-9-4-5-10(6-9)7-11(2,3)8/h4-6H,7H2,1-3H3/q+1
InChIKeyYTDZCECYXOSECU-UHFFFAOYSA-N
MW189.74 g/mol
LogP1.30
Rot. Bonds2

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 Namechloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane
PubChem CID153323826
Molecular FormulaC7H14ClN2Si+
Molecular Weight189.74 g/mol
Exact Mass189.06
IUPAC Namechloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane
SMILESC[n+]1ccn(C[Si](C)(C)Cl)c1
InChIInChI=1S/C7H14ClN2Si/c1-9-4-5-10(6-9)7-11(2,3)8/h4-6H,7H2,1-3H3/q+1
InChIKeyYTDZCECYXOSECU-UHFFFAOYSA-N
XLogP1.30
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.74
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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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).