4-chlorobutanenitrile;diethoxysilane

C8H18ClNO2Si — CID 160880122

IUPAC4-chlorobutanenitrile;diethoxysilane
SMILESCCO[SiH2]OCC.N#CCCCCl
InChIInChI=1S/C4H6ClN.C4H12O2Si/c5-3-1-2-4-6;1-3-5-7-6-4-2/h1-3H2;3-4,7H2,1-2H3
InChIKeySMXPBPTXQFRXHI-UHFFFAOYSA-N
MW223.78 g/mol
LogP1.59
Rot. Bonds6

About 4-chlorobutanenitrile;diethoxysilane

4-chlorobutanenitrile;diethoxysilane (PubChem CID 160880122) has the molecular formula C8H18ClNO2Si and a molecular weight of 223.78 g/mol. Its IUPAC name is 4-chlorobutanenitrile;diethoxysilane.

Molecular Properties

Compound Name4-chlorobutanenitrile;diethoxysilane
PubChem CID160880122
Molecular FormulaC8H18ClNO2Si
Molecular Weight223.78 g/mol
Exact Mass223.08
IUPAC Name4-chlorobutanenitrile;diethoxysilane
SMILESCCO[SiH2]OCC.N#CCCCCl
InChIInChI=1S/C4H6ClN.C4H12O2Si/c5-3-1-2-4-6;1-3-5-7-6-4-2/h1-3H2;3-4,7H2,1-2H3
InChIKeySMXPBPTXQFRXHI-UHFFFAOYSA-N
XLogP1.59
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.78
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutanenitrile;diethoxysilane?
The IUPAC name of 4-chlorobutanenitrile;diethoxysilane (CID 160880122) is 4-chlorobutanenitrile;diethoxysilane.
What is the SMILES notation for 4-chlorobutanenitrile;diethoxysilane?
The canonical SMILES for 4-chlorobutanenitrile;diethoxysilane is CCO[SiH2]OCC.N#CCCCCl.
What is the InChIKey of 4-chlorobutanenitrile;diethoxysilane?
The InChIKey is SMXPBPTXQFRXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN.C4H12O2Si/c5-3-1-2-4-6;1-3-5-7-6-4-2/h1-3H2;3-4,7H2,1-2H3.
What are the key properties of 4-chlorobutanenitrile;diethoxysilane?
4-chlorobutanenitrile;diethoxysilane has a molecular weight of 223.78 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutanenitrile;diethoxysilane is sourced from PubChem (CID 160880122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).