3-triethoxysilylpropanenitrile

C9H19NO3Si — CID 13522

IUPAC3-triethoxysilylpropanenitrile
SMILESCCO[Si](CCC#N)(OCC)OCC
InChIInChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3
InChIKeyGBQYMXVQHATSCC-UHFFFAOYSA-N
MW217.34 g/mol
LogP1.95
Rot. Bonds8

About 3-triethoxysilylpropanenitrile

3-triethoxysilylpropanenitrile (PubChem CID 13522) has the molecular formula C9H19NO3Si and a molecular weight of 217.34 g/mol. Its IUPAC name is 3-triethoxysilylpropanenitrile.

Molecular Properties

Compound Name3-triethoxysilylpropanenitrile
PubChem CID13522
Molecular FormulaC9H19NO3Si
Molecular Weight217.34 g/mol
Exact Mass217.11
IUPAC Name3-triethoxysilylpropanenitrile
SMILESCCO[Si](CCC#N)(OCC)OCC
InChIInChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3
InChIKeyGBQYMXVQHATSCC-UHFFFAOYSA-N
XLogP1.95
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 51.95
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 3-triethoxysilylpropanenitrile?
The IUPAC name of 3-triethoxysilylpropanenitrile (CID 13522) is 3-triethoxysilylpropanenitrile.
What is the SMILES notation for 3-triethoxysilylpropanenitrile?
The canonical SMILES for 3-triethoxysilylpropanenitrile is CCO[Si](CCC#N)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropanenitrile?
The InChIKey is GBQYMXVQHATSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3.
What are the key properties of 3-triethoxysilylpropanenitrile?
3-triethoxysilylpropanenitrile has a molecular weight of 217.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropanenitrile is sourced from PubChem (CID 13522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).