diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride

C13H32ClNO4Si — CID 153332898

IUPACdiethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
SMILESCC[N+](CC)(CCCO)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C13H32NO4Si.ClH/c1-6-14(7-2,10-8-12-15)11-9-13-19(16-3,17-4)18-5;/h15H,6-13H2,1-5H3;1H/q+1;/p-1
InChIKeyVQHBSNMVMBORDZ-UHFFFAOYSA-M
MW329.94 g/mol
LogP-1.50
Rot. Bonds12

About diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride

diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride (PubChem CID 153332898) has the molecular formula C13H32ClNO4Si and a molecular weight of 329.94 g/mol. Its IUPAC name is diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Namediethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
PubChem CID153332898
Molecular FormulaC13H32ClNO4Si
Molecular Weight329.94 g/mol
Exact Mass329.18
IUPAC Namediethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
SMILESCC[N+](CC)(CCCO)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C13H32NO4Si.ClH/c1-6-14(7-2,10-8-12-15)11-9-13-19(16-3,17-4)18-5;/h15H,6-13H2,1-5H3;1H/q+1;/p-1
InChIKeyVQHBSNMVMBORDZ-UHFFFAOYSA-M
XLogP-1.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.94
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride
CID 153332864
ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
CID 153332867
diethyl-bis(3-hydroxypropyl)azanium hydroxide
CID 22731865
tributyl(3-trimethoxysilylpropyl)azanium chloride
CID 15001028
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
6-trimethoxysilylhexan-1-ol
CID 22497813
16-trimethoxysilylhexadecan-1-ol
CID 87683754
26-trimethoxysilylhexacosan-1-ol
CID 87686281
3-[3-[diethyl(propyl)azaniumyl]propyl-dimethoxysilyl]propyl-diethyl-propylazanium
CID 18779947
benzyl-diethyl-(3-trimethoxysilylpropyl)azanium
CID 175077769
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride?
The IUPAC name of diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride (CID 153332898) is diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride.
What is the SMILES notation for diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride?
The canonical SMILES for diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride is CC[N+](CC)(CCCO)CCC[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride?
The InChIKey is VQHBSNMVMBORDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H32NO4Si.ClH/c1-6-14(7-2,10-8-12-15)11-9-13-19(16-3,17-4)18-5;/h15H,6-13H2,1-5H3;1H/q+1;/p-1.
What are the key properties of diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride?
diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride has a molecular weight of 329.94 g/mol, XLogP of -1.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 153332898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).