methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride

C19H51ClN2O7Si2 — CID 156778994

IUPACmethanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride
SMILESCO[Si](CCC[N+](C)(C)C)(OC)OC.CO[Si](CCC[N+](C)(C)C)(OC)OC.C[O-].[Cl-]
InChIInChI=1S/2C9H24NO3Si.CH3O.ClH/c2*1-10(2,3)8-7-9-14(11-4,12-5)13-6;1-2;/h2*7-9H2,1-6H3;1H3;1H/q2*+1;-1;/p-1
InChIKeyZDBMGGNWGROBGO-UHFFFAOYSA-M
MW511.25 g/mol
LogP-2.10
Rot. Bonds14

About methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride

methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride (PubChem CID 156778994) has the molecular formula C19H51ClN2O7Si2 and a molecular weight of 511.25 g/mol. Its IUPAC name is methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride.

Molecular Properties

Compound Namemethanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride
PubChem CID156778994
Molecular FormulaC19H51ClN2O7Si2
Molecular Weight511.25 g/mol
Exact Mass510.29
IUPAC Namemethanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride
SMILESCO[Si](CCC[N+](C)(C)C)(OC)OC.CO[Si](CCC[N+](C)(C)C)(OC)OC.C[O-].[Cl-]
InChIInChI=1S/2C9H24NO3Si.CH3O.ClH/c2*1-10(2,3)8-7-9-14(11-4,12-5)13-6;1-2;/h2*7-9H2,1-6H3;1H3;1H/q2*+1;-1;/p-1
InChIKeyZDBMGGNWGROBGO-UHFFFAOYSA-M
XLogP-2.10
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.25
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate
CID 140634678
tributyl(3-trimethoxysilylpropyl)azanium chloride
CID 15001028
trimethyl(3-trimethylsilylpropyl)azanium chloride
CID 87931852
hydroxy-dimethyl-(5-trimethoxysilylpentyl)azanium chloride
CID 87380742
3-[methoxy(dipropyl)silyl]propyl-trimethylazanium
CID 154408712
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
dimethyl-pentadecyl-(6-trimethoxysilylhexyl)azanium chloride
CID 88730499
icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
CID 164521067
dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride
CID 88731013
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162

Frequently Asked Questions

What is the IUPAC name of methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride?
The IUPAC name of methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride (CID 156778994) is methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride.
What is the SMILES notation for methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride?
The canonical SMILES for methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride is CO[Si](CCC[N+](C)(C)C)(OC)OC.CO[Si](CCC[N+](C)(C)C)(OC)OC.C[O-].[Cl-].
What is the InChIKey of methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride?
The InChIKey is ZDBMGGNWGROBGO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C9H24NO3Si.CH3O.ClH/c2*1-10(2,3)8-7-9-14(11-4,12-5)13-6;1-2;/h2*7-9H2,1-6H3;1H3;1H/q2*+1;-1;/p-1.
What are the key properties of methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride?
methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride has a molecular weight of 511.25 g/mol, XLogP of -2.10, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride is sourced from PubChem (CID 156778994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).