3-trimethoxysilylpropylazanium acetate

C8H21NO5Si — CID 87499264

IUPAC3-trimethoxysilylpropylazanium acetate
SMILESCC(=O)[O-].CO[Si](CCC[NH3+])(OC)OC
InChIInChI=1S/C6H17NO3Si.C2H4O2/c1-8-11(9-2,10-3)6-4-5-7;1-2(3)4/h4-7H2,1-3H3;1H3,(H,3,4)
InChIKeyHACPGHDHKHJVNM-UHFFFAOYSA-N
MW239.34 g/mol
LogP-1.75
Rot. Bonds6

About 3-trimethoxysilylpropylazanium acetate

3-trimethoxysilylpropylazanium acetate (PubChem CID 87499264) has the molecular formula C8H21NO5Si and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-trimethoxysilylpropylazanium acetate.

Molecular Properties

Compound Name3-trimethoxysilylpropylazanium acetate
PubChem CID87499264
Molecular FormulaC8H21NO5Si
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name3-trimethoxysilylpropylazanium acetate
SMILESCC(=O)[O-].CO[Si](CCC[NH3+])(OC)OC
InChIInChI=1S/C6H17NO3Si.C2H4O2/c1-8-11(9-2,10-3)6-4-5-7;1-2(3)4/h4-7H2,1-3H3;1H3,(H,3,4)
InChIKeyHACPGHDHKHJVNM-UHFFFAOYSA-N
XLogP-1.75
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropylazanium acetate?
The IUPAC name of 3-trimethoxysilylpropylazanium acetate (CID 87499264) is 3-trimethoxysilylpropylazanium acetate.
What is the SMILES notation for 3-trimethoxysilylpropylazanium acetate?
The canonical SMILES for 3-trimethoxysilylpropylazanium acetate is CC(=O)[O-].CO[Si](CCC[NH3+])(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropylazanium acetate?
The InChIKey is HACPGHDHKHJVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO3Si.C2H4O2/c1-8-11(9-2,10-3)6-4-5-7;1-2(3)4/h4-7H2,1-3H3;1H3,(H,3,4).
What are the key properties of 3-trimethoxysilylpropylazanium acetate?
3-trimethoxysilylpropylazanium acetate has a molecular weight of 239.34 g/mol, XLogP of -1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropylazanium acetate is sourced from PubChem (CID 87499264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).