4-triethoxysilylbutanenitrile

C10H21NO3Si — CID 14024

IUPAC4-triethoxysilylbutanenitrile
SMILESCCO[Si](CCCC#N)(OCC)OCC
InChIInChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3
InChIKeyVGIURMCNTDVGJM-UHFFFAOYSA-N
MW231.37 g/mol
LogP2.34
Rot. Bonds9

About 4-triethoxysilylbutanenitrile

4-triethoxysilylbutanenitrile (PubChem CID 14024) has the molecular formula C10H21NO3Si and a molecular weight of 231.37 g/mol. Its IUPAC name is 4-triethoxysilylbutanenitrile.

Molecular Properties

Compound Name4-triethoxysilylbutanenitrile
PubChem CID14024
Molecular FormulaC10H21NO3Si
Molecular Weight231.37 g/mol
Exact Mass231.13
IUPAC Name4-triethoxysilylbutanenitrile
SMILESCCO[Si](CCCC#N)(OCC)OCC
InChIInChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3
InChIKeyVGIURMCNTDVGJM-UHFFFAOYSA-N
XLogP2.34
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylbutanenitrile?
The IUPAC name of 4-triethoxysilylbutanenitrile (CID 14024) is 4-triethoxysilylbutanenitrile.
What is the SMILES notation for 4-triethoxysilylbutanenitrile?
The canonical SMILES for 4-triethoxysilylbutanenitrile is CCO[Si](CCCC#N)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylbutanenitrile?
The InChIKey is VGIURMCNTDVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3.
What are the key properties of 4-triethoxysilylbutanenitrile?
4-triethoxysilylbutanenitrile has a molecular weight of 231.37 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylbutanenitrile is sourced from PubChem (CID 14024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).