2-chlorosilylbutanenitrile

C4H8ClNSi — CID 173020167

IUPAC2-chlorosilylbutanenitrile
SMILESCCC(C#N)[SiH2]Cl
InChIInChI=1S/C4H8ClNSi/c1-2-4(3-6)7-5/h4H,2,7H2,1H3
InChIKeyOWSLENIFMUXLJU-UHFFFAOYSA-N
MW133.65 g/mol
LogP1.03
Rot. Bonds2

About 2-chlorosilylbutanenitrile

2-chlorosilylbutanenitrile (PubChem CID 173020167) has the molecular formula C4H8ClNSi and a molecular weight of 133.65 g/mol. Its IUPAC name is 2-chlorosilylbutanenitrile.

Molecular Properties

Compound Name2-chlorosilylbutanenitrile
PubChem CID173020167
Molecular FormulaC4H8ClNSi
Molecular Weight133.65 g/mol
Exact Mass133.01
IUPAC Name2-chlorosilylbutanenitrile
SMILESCCC(C#N)[SiH2]Cl
InChIInChI=1S/C4H8ClNSi/c1-2-4(3-6)7-5/h4H,2,7H2,1H3
InChIKeyOWSLENIFMUXLJU-UHFFFAOYSA-N
XLogP1.03
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.65
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro-dicyano-ethylphosphanium
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chloro(pentan-3-yl)silane
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2-selanylbutanenitrile
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2-ethylpropane-1,1,3,3-tetracarbonitrile
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4-chloro-2-ethylpentanenitrile
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3-chloropentanenitrile
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2-(oxomethyl)butanenitrile
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2-[[chloro(dimethyl)silyl]methyl]butanenitrile
CID 140812527
2-(2-methylbutylamino)propanenitrile
CID 62692860
3,3-dichloro-2-hydroxyundecanenitrile
CID 11107813
2-ethylhept-6-ynenitrile
CID 25268245

Frequently Asked Questions

What is the IUPAC name of 2-chlorosilylbutanenitrile?
The IUPAC name of 2-chlorosilylbutanenitrile (CID 173020167) is 2-chlorosilylbutanenitrile.
What is the SMILES notation for 2-chlorosilylbutanenitrile?
The canonical SMILES for 2-chlorosilylbutanenitrile is CCC(C#N)[SiH2]Cl.
What is the InChIKey of 2-chlorosilylbutanenitrile?
The InChIKey is OWSLENIFMUXLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNSi/c1-2-4(3-6)7-5/h4H,2,7H2,1H3.
What are the key properties of 2-chlorosilylbutanenitrile?
2-chlorosilylbutanenitrile has a molecular weight of 133.65 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosilylbutanenitrile is sourced from PubChem (CID 173020167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).