3-ethoxysilylpropanenitrile

C5H11NOSi — CID 149437387

IUPAC3-ethoxysilylpropanenitrile
SMILESCCO[SiH2]CCC#N
InChIInChI=1S/C5H11NOSi/c1-2-7-8-5-3-4-6/h2-3,5,8H2,1H3
InChIKeyCIAZSFLPNFYNAE-UHFFFAOYSA-N
MW129.24 g/mol
LogP0.44
Rot. Bonds4

About 3-ethoxysilylpropanenitrile

3-ethoxysilylpropanenitrile (PubChem CID 149437387) has the molecular formula C5H11NOSi and a molecular weight of 129.24 g/mol. Its IUPAC name is 3-ethoxysilylpropanenitrile.

Molecular Properties

Compound Name3-ethoxysilylpropanenitrile
PubChem CID149437387
Molecular FormulaC5H11NOSi
Molecular Weight129.24 g/mol
Exact Mass129.06
IUPAC Name3-ethoxysilylpropanenitrile
SMILESCCO[SiH2]CCC#N
InChIInChI=1S/C5H11NOSi/c1-2-7-8-5-3-4-6/h2-3,5,8H2,1H3
InChIKeyCIAZSFLPNFYNAE-UHFFFAOYSA-N
XLogP0.44
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-ethoxysilylpropanenitrile?
The IUPAC name of 3-ethoxysilylpropanenitrile (CID 149437387) is 3-ethoxysilylpropanenitrile.
What is the SMILES notation for 3-ethoxysilylpropanenitrile?
The canonical SMILES for 3-ethoxysilylpropanenitrile is CCO[SiH2]CCC#N.
What is the InChIKey of 3-ethoxysilylpropanenitrile?
The InChIKey is CIAZSFLPNFYNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOSi/c1-2-7-8-5-3-4-6/h2-3,5,8H2,1H3.
What are the key properties of 3-ethoxysilylpropanenitrile?
3-ethoxysilylpropanenitrile has a molecular weight of 129.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxysilylpropanenitrile is sourced from PubChem (CID 149437387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).