2-isocyanoacetic acid;triethoxysilane

C9H19NO5Si — CID 159772115

IUPAC2-isocyanoacetic acid;triethoxysilane
SMILESCCO[SiH](OCC)OCC.[C-]#[N+]CC(=O)O
InChIInChI=1S/C6H16O3Si.C3H3NO2/c1-4-7-10(8-5-2)9-6-3;1-4-2-3(5)6/h10H,4-6H2,1-3H3;2H2,(H,5,6)
InChIKeyNGGCAYVOHVHPII-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.80
Rot. Bonds7

About 2-isocyanoacetic acid;triethoxysilane

2-isocyanoacetic acid;triethoxysilane (PubChem CID 159772115) has the molecular formula C9H19NO5Si and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-isocyanoacetic acid;triethoxysilane.

Molecular Properties

Compound Name2-isocyanoacetic acid;triethoxysilane
PubChem CID159772115
Molecular FormulaC9H19NO5Si
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-isocyanoacetic acid;triethoxysilane
SMILESCCO[SiH](OCC)OCC.[C-]#[N+]CC(=O)O
InChIInChI=1S/C6H16O3Si.C3H3NO2/c1-4-7-10(8-5-2)9-6-3;1-4-2-3(5)6/h10H,4-6H2,1-3H3;2H2,(H,5,6)
InChIKeyNGGCAYVOHVHPII-UHFFFAOYSA-N
XLogP0.80
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-isocyanoacetic acid;triethoxysilane?
The IUPAC name of 2-isocyanoacetic acid;triethoxysilane (CID 159772115) is 2-isocyanoacetic acid;triethoxysilane.
What is the SMILES notation for 2-isocyanoacetic acid;triethoxysilane?
The canonical SMILES for 2-isocyanoacetic acid;triethoxysilane is CCO[SiH](OCC)OCC.[C-]#[N+]CC(=O)O.
What is the InChIKey of 2-isocyanoacetic acid;triethoxysilane?
The InChIKey is NGGCAYVOHVHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3Si.C3H3NO2/c1-4-7-10(8-5-2)9-6-3;1-4-2-3(5)6/h10H,4-6H2,1-3H3;2H2,(H,5,6).
What are the key properties of 2-isocyanoacetic acid;triethoxysilane?
2-isocyanoacetic acid;triethoxysilane has a molecular weight of 249.34 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyanoacetic acid;triethoxysilane is sourced from PubChem (CID 159772115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).