2-triethoxysilylacetonitrile

C8H17NO3Si — CID 22186534

IUPAC2-triethoxysilylacetonitrile
SMILESCCO[Si](CC#N)(OCC)OCC
InChIInChI=1S/C8H17NO3Si/c1-4-10-13(8-7-9,11-5-2)12-6-3/h4-6,8H2,1-3H3
InChIKeyOBHKQIOOIQZAAW-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.56
Rot. Bonds7

About 2-triethoxysilylacetonitrile

2-triethoxysilylacetonitrile (PubChem CID 22186534) has the molecular formula C8H17NO3Si and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-triethoxysilylacetonitrile.

Molecular Properties

Compound Name2-triethoxysilylacetonitrile
PubChem CID22186534
Molecular FormulaC8H17NO3Si
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-triethoxysilylacetonitrile
SMILESCCO[Si](CC#N)(OCC)OCC
InChIInChI=1S/C8H17NO3Si/c1-4-10-13(8-7-9,11-5-2)12-6-3/h4-6,8H2,1-3H3
InChIKeyOBHKQIOOIQZAAW-UHFFFAOYSA-N
XLogP1.56
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.56
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-triethoxysilylacetonitrile?
The IUPAC name of 2-triethoxysilylacetonitrile (CID 22186534) is 2-triethoxysilylacetonitrile.
What is the SMILES notation for 2-triethoxysilylacetonitrile?
The canonical SMILES for 2-triethoxysilylacetonitrile is CCO[Si](CC#N)(OCC)OCC.
What is the InChIKey of 2-triethoxysilylacetonitrile?
The InChIKey is OBHKQIOOIQZAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3Si/c1-4-10-13(8-7-9,11-5-2)12-6-3/h4-6,8H2,1-3H3.
What are the key properties of 2-triethoxysilylacetonitrile?
2-triethoxysilylacetonitrile has a molecular weight of 203.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethoxysilylacetonitrile is sourced from PubChem (CID 22186534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).