chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride

C8H19Cl2NSi — CID 153404335

IUPACchloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride
SMILESC[N+]1(C[Si](C)(C)Cl)CCCC1.[Cl-]
InChIInChI=1S/C8H19ClNSi.ClH/c1-10(6-4-5-7-10)8-11(2,3)9;/h4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyODRYIXSIPYAHJI-UHFFFAOYSA-M
MW228.24 g/mol
LogP-0.79
Rot. Bonds2

About chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride

chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride (PubChem CID 153404335) has the molecular formula C8H19Cl2NSi and a molecular weight of 228.24 g/mol. Its IUPAC name is chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride.

Molecular Properties

Compound Namechloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride
PubChem CID153404335
Molecular FormulaC8H19Cl2NSi
Molecular Weight228.24 g/mol
Exact Mass227.07
IUPAC Namechloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride
SMILESC[N+]1(C[Si](C)(C)Cl)CCCC1.[Cl-]
InChIInChI=1S/C8H19ClNSi.ClH/c1-10(6-4-5-7-10)8-11(2,3)9;/h4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyODRYIXSIPYAHJI-UHFFFAOYSA-M
XLogP-0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', '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-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride?
The IUPAC name of chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride (CID 153404335) is chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride.
What is the SMILES notation for chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride?
The canonical SMILES for chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride is C[N+]1(C[Si](C)(C)Cl)CCCC1.[Cl-].
What is the InChIKey of chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride?
The InChIKey is ODRYIXSIPYAHJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19ClNSi.ClH/c1-10(6-4-5-7-10)8-11(2,3)9;/h4-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride?
chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride has a molecular weight of 228.24 g/mol, XLogP of -0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[(1-methylpyrrolidin-1-ium-1-yl)methyl]silane chloride is sourced from PubChem (CID 153404335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).