benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride

C18H34ClNO3Si — CID 3020617

IUPACbenzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride
SMILESCCO[Si](CCC[N+](C)(C)Cc1ccccc1)(OCC)OCC.[Cl-]
InChIInChI=1S/C18H34NO3Si.ClH/c1-6-20-23(21-7-2,22-8-3)16-12-15-19(4,5)17-18-13-10-9-11-14-18;/h9-11,13-14H,6-8,12,15-17H2,1-5H3;1H/q+1;/p-1
InChIKeyVAMPBYNCRJPDFD-UHFFFAOYSA-M
MW376.01 g/mol
LogP0.71
Rot. Bonds12

About benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride

benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride (PubChem CID 3020617) has the molecular formula C18H34ClNO3Si and a molecular weight of 376.01 g/mol. Its IUPAC name is benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Namebenzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride
PubChem CID3020617
Molecular FormulaC18H34ClNO3Si
Molecular Weight376.01 g/mol
Exact Mass375.20
IUPAC Namebenzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride
SMILESCCO[Si](CCC[N+](C)(C)Cc1ccccc1)(OCC)OCC.[Cl-]
InChIInChI=1S/C18H34NO3Si.ClH/c1-6-20-23(21-7-2,22-8-3)16-12-15-19(4,5)17-18-13-10-9-11-14-18;/h9-11,13-14H,6-8,12,15-17H2,1-5H3;1H/q+1;/p-1
InChIKeyVAMPBYNCRJPDFD-UHFFFAOYSA-M
XLogP0.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.01
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride?
The IUPAC name of benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride (CID 3020617) is benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride.
What is the SMILES notation for benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride?
The canonical SMILES for benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride is CCO[Si](CCC[N+](C)(C)Cc1ccccc1)(OCC)OCC.[Cl-].
What is the InChIKey of benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride?
The InChIKey is VAMPBYNCRJPDFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H34NO3Si.ClH/c1-6-20-23(21-7-2,22-8-3)16-12-15-19(4,5)17-18-13-10-9-11-14-18;/h9-11,13-14H,6-8,12,15-17H2,1-5H3;1H/q+1;/p-1.
What are the key properties of benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride?
benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride has a molecular weight of 376.01 g/mol, XLogP of 0.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 3020617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).