2-diethoxysilyloxyacetonitrile

C6H13NO3Si — CID 175731973

IUPAC2-diethoxysilyloxyacetonitrile
SMILESCCO[SiH](OCC)OCC#N
InChIInChI=1S/C6H13NO3Si/c1-3-8-11(9-4-2)10-6-5-7/h11H,3-4,6H2,1-2H3
InChIKeyQRBAUKRGBVGZTQ-UHFFFAOYSA-N
MW175.26 g/mol
LogP0.32
Rot. Bonds6

About 2-diethoxysilyloxyacetonitrile

2-diethoxysilyloxyacetonitrile (PubChem CID 175731973) has the molecular formula C6H13NO3Si and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-diethoxysilyloxyacetonitrile.

Molecular Properties

Compound Name2-diethoxysilyloxyacetonitrile
PubChem CID175731973
Molecular FormulaC6H13NO3Si
Molecular Weight175.26 g/mol
Exact Mass175.07
IUPAC Name2-diethoxysilyloxyacetonitrile
SMILESCCO[SiH](OCC)OCC#N
InChIInChI=1S/C6H13NO3Si/c1-3-8-11(9-4-2)10-6-5-7/h11H,3-4,6H2,1-2H3
InChIKeyQRBAUKRGBVGZTQ-UHFFFAOYSA-N
XLogP0.32
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-diethoxysilyloxyacetonitrile?
The IUPAC name of 2-diethoxysilyloxyacetonitrile (CID 175731973) is 2-diethoxysilyloxyacetonitrile.
What is the SMILES notation for 2-diethoxysilyloxyacetonitrile?
The canonical SMILES for 2-diethoxysilyloxyacetonitrile is CCO[SiH](OCC)OCC#N.
What is the InChIKey of 2-diethoxysilyloxyacetonitrile?
The InChIKey is QRBAUKRGBVGZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3Si/c1-3-8-11(9-4-2)10-6-5-7/h11H,3-4,6H2,1-2H3.
What are the key properties of 2-diethoxysilyloxyacetonitrile?
2-diethoxysilyloxyacetonitrile has a molecular weight of 175.26 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxysilyloxyacetonitrile is sourced from PubChem (CID 175731973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).