3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile

C9H18BrNO3Si — CID 87213817

IUPAC3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile
SMILESCCO[Si](Br)(CCOCCC#N)OCC
InChIInChI=1S/C9H18BrNO3Si/c1-3-13-15(10,14-4-2)9-8-12-7-5-6-11/h3-5,7-9H2,1-2H3
InChIKeyGPOYDEWHDVZSIO-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.32
Rot. Bonds9

About 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile

3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile (PubChem CID 87213817) has the molecular formula C9H18BrNO3Si and a molecular weight of 296.24 g/mol. Its IUPAC name is 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile.

Molecular Properties

Compound Name3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile
PubChem CID87213817
Molecular FormulaC9H18BrNO3Si
Molecular Weight296.24 g/mol
Exact Mass295.02
IUPAC Name3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile
SMILESCCO[Si](Br)(CCOCCC#N)OCC
InChIInChI=1S/C9H18BrNO3Si/c1-3-13-15(10,14-4-2)9-8-12-7-5-6-11/h3-5,7-9H2,1-2H3
InChIKeyGPOYDEWHDVZSIO-UHFFFAOYSA-N
XLogP2.32
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.32
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(2-Cyanoethyl)triethoxysilane
CID 13522
3-Cyanopropyltriethoxysilane
CID 14024
Propanenitrile, 3-(diethoxymethylsilyl)-
CID 70907
Propanenitrile, 2-(triethoxysilyl)-
CID 86639
2-(Triethoxysilyl)butyronitrile
CID 74199
Diethylene glycol methyl ether, (3-cyanopropyl)dimethylsilyl ether
CID 91694172
alpha-Cyanoethyltributoxysilane
CID 129765159
3-[Tris(2-methoxyethoxy)silyl]propanenitrile
CID 19935237
2-[Tris(2-methoxyethoxy)silyl]propanenitrile
CID 21738245
3-[3-[Hydroxy(dimethyl)silyl]propoxy]-2-methylpropanenitrile
CID 53660177
3-[3-[Diethyl(hydroxy)silyl]propoxy]propanenitrile
CID 53887233
3-[3-[Hydroxy(dimethyl)silyl]propoxy]propanenitrile
CID 53987938

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile?
The IUPAC name of 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile (CID 87213817) is 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile.
What is the SMILES notation for 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile?
The canonical SMILES for 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile is CCO[Si](Br)(CCOCCC#N)OCC.
What is the InChIKey of 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile?
The InChIKey is GPOYDEWHDVZSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3Si/c1-3-13-15(10,14-4-2)9-8-12-7-5-6-11/h3-5,7-9H2,1-2H3.
What are the key properties of 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile?
3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile has a molecular weight of 296.24 g/mol, XLogP of 2.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bromo(diethoxy)silyl]ethoxy]propanenitrile is sourced from PubChem (CID 87213817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).