carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium

C11H26NO5Si+ — CID 123977555

IUPACcarboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium
SMILESCC[N+](C)(CCC[Si](OC)(OC)OC)CC(=O)O
InChIInChI=1S/C11H25NO5Si/c1-6-12(2,10-11(13)14)8-7-9-18(15-3,16-4)17-5/h6-10H2,1-5H3/p+1
InChIKeyGNONTQUITCSHLG-UHFFFAOYSA-O
MW280.42 g/mol
LogP0.81
Rot. Bonds10

About carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium

carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium (PubChem CID 123977555) has the molecular formula C11H26NO5Si+ and a molecular weight of 280.42 g/mol. Its IUPAC name is carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Namecarboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium
PubChem CID123977555
Molecular FormulaC11H26NO5Si+
Molecular Weight280.42 g/mol
Exact Mass280.16
IUPAC Namecarboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium
SMILESCC[N+](C)(CCC[Si](OC)(OC)OC)CC(=O)O
InChIInChI=1S/C11H25NO5Si/c1-6-12(2,10-11(13)14)8-7-9-18(15-3,16-4)17-5/h6-10H2,1-5H3/p+1
InChIKeyGNONTQUITCSHLG-UHFFFAOYSA-O
XLogP0.81
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.81
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-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591
2,2-dideuterio-4-trimethoxysilylbutanoic acid
CID 175956620
carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 144752674
3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium
CID 91556508
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
CID 153332898
methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride
CID 156778994
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
CID 164521067
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
CID 88693959
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium?
The IUPAC name of carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium (CID 123977555) is carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium is CC[N+](C)(CCC[Si](OC)(OC)OC)CC(=O)O.
What is the InChIKey of carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium?
The InChIKey is GNONTQUITCSHLG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H25NO5Si/c1-6-12(2,10-11(13)14)8-7-9-18(15-3,16-4)17-5/h6-10H2,1-5H3/p+1.
What are the key properties of carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium?
carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium has a molecular weight of 280.42 g/mol, XLogP of 0.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 123977555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).