trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride

C10H21ClN2O3Si — CID 141276789

IUPACtrimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride
SMILESCO[Si](CCC[n+]1cc[nH]c1C)(OC)OC.[Cl-]
InChIInChI=1S/C10H20N2O3Si.ClH/c1-10-11-6-8-12(10)7-5-9-16(13-2,14-3)15-4;/h6,8H,5,7,9H2,1-4H3;1H
InChIKeyZKYPJKOTVAKCFJ-UHFFFAOYSA-N
MW280.83 g/mol
LogP-2.12
Rot. Bonds7

About trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride

trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride (PubChem CID 141276789) has the molecular formula C10H21ClN2O3Si and a molecular weight of 280.83 g/mol. Its IUPAC name is trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride.

Molecular Properties

Compound Nametrimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride
PubChem CID141276789
Molecular FormulaC10H21ClN2O3Si
Molecular Weight280.83 g/mol
Exact Mass280.10
IUPAC Nametrimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride
SMILESCO[Si](CCC[n+]1cc[nH]c1C)(OC)OC.[Cl-]
InChIInChI=1S/C10H20N2O3Si.ClH/c1-10-11-6-8-12(10)7-5-9-16(13-2,14-3)15-4;/h6,8H,5,7,9H2,1-4H3;1H
InChIKeyZKYPJKOTVAKCFJ-UHFFFAOYSA-N
XLogP-2.12
TPSA47.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.83
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride?
The IUPAC name of trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride (CID 141276789) is trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride.
What is the SMILES notation for trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride?
The canonical SMILES for trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride is CO[Si](CCC[n+]1cc[nH]c1C)(OC)OC.[Cl-].
What is the InChIKey of trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride?
The InChIKey is ZKYPJKOTVAKCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3Si.ClH/c1-10-11-6-8-12(10)7-5-9-16(13-2,14-3)15-4;/h6,8H,5,7,9H2,1-4H3;1H.
What are the key properties of trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride?
trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride has a molecular weight of 280.83 g/mol, XLogP of -2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride is sourced from PubChem (CID 141276789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).