triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane

C13H27N2O3Si+ — CID 15500386

IUPACtriethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane
SMILESCCO[Si](CCCn1cc[n+](C)c1)(OCC)OCC
InChIInChI=1S/C13H27N2O3Si/c1-5-16-19(17-6-2,18-7-3)12-8-9-15-11-10-14(4)13-15/h10-11,13H,5-9,12H2,1-4H3/q+1
InChIKeyGATMMPLPWMZYAP-UHFFFAOYSA-N
MW287.46 g/mol
LogP1.75
Rot. Bonds10

About triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane

triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane (PubChem CID 15500386) has the molecular formula C13H27N2O3Si+ and a molecular weight of 287.46 g/mol. Its IUPAC name is triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane
PubChem CID15500386
Molecular FormulaC13H27N2O3Si+
Molecular Weight287.46 g/mol
Exact Mass287.18
IUPAC Nametriethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane
SMILESCCO[Si](CCCn1cc[n+](C)c1)(OCC)OCC
InChIInChI=1S/C13H27N2O3Si/c1-5-16-19(17-6-2,18-7-3)12-8-9-15-11-10-14(4)13-15/h10-11,13H,5-9,12H2,1-4H3/q+1
InChIKeyGATMMPLPWMZYAP-UHFFFAOYSA-N
XLogP1.75
TPSA36.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethoxy-methyl-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane
CID 122211058
triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane
CID 132558297
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium diiodide
CID 46185650
1-methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium;hydrobromide
CID 135325512
1-methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium dichloride
CID 71525194
3-(3-methylimidazol-3-ium-1-yl)propan-1-ol hydroxide
CID 86606382
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane?
The IUPAC name of triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane (CID 15500386) is triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane?
The canonical SMILES for triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane is CCO[Si](CCCn1cc[n+](C)c1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane?
The InChIKey is GATMMPLPWMZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O3Si/c1-5-16-19(17-6-2,18-7-3)12-8-9-15-11-10-14(4)13-15/h10-11,13H,5-9,12H2,1-4H3/q+1.
What are the key properties of triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane?
triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane has a molecular weight of 287.46 g/mol, XLogP of 1.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane is sourced from PubChem (CID 15500386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).