4-[butyl(dichloro)silyl]butanenitrile

C8H15Cl2NSi — CID 11806313

IUPAC4-[butyl(dichloro)silyl]butanenitrile
SMILESCCCC[Si](Cl)(Cl)CCCC#N
InChIInChI=1S/C8H15Cl2NSi/c1-2-3-7-12(9,10)8-5-4-6-11/h2-5,7-8H2,1H3
InChIKeyPPOVHKHURLDLSZ-UHFFFAOYSA-N
MW224.21 g/mol
LogP4.01
Rot. Bonds6

About 4-[butyl(dichloro)silyl]butanenitrile

4-[butyl(dichloro)silyl]butanenitrile (PubChem CID 11806313) has the molecular formula C8H15Cl2NSi and a molecular weight of 224.21 g/mol. Its IUPAC name is 4-[butyl(dichloro)silyl]butanenitrile.

Molecular Properties

Compound Name4-[butyl(dichloro)silyl]butanenitrile
PubChem CID11806313
Molecular FormulaC8H15Cl2NSi
Molecular Weight224.21 g/mol
Exact Mass223.04
IUPAC Name4-[butyl(dichloro)silyl]butanenitrile
SMILESCCCC[Si](Cl)(Cl)CCCC#N
InChIInChI=1S/C8H15Cl2NSi/c1-2-3-7-12(9,10)8-5-4-6-11/h2-5,7-8H2,1H3
InChIKeyPPOVHKHURLDLSZ-UHFFFAOYSA-N
XLogP4.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(dichloro)silyl]butanenitrile?
The IUPAC name of 4-[butyl(dichloro)silyl]butanenitrile (CID 11806313) is 4-[butyl(dichloro)silyl]butanenitrile.
What is the SMILES notation for 4-[butyl(dichloro)silyl]butanenitrile?
The canonical SMILES for 4-[butyl(dichloro)silyl]butanenitrile is CCCC[Si](Cl)(Cl)CCCC#N.
What is the InChIKey of 4-[butyl(dichloro)silyl]butanenitrile?
The InChIKey is PPOVHKHURLDLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NSi/c1-2-3-7-12(9,10)8-5-4-6-11/h2-5,7-8H2,1H3.
What are the key properties of 4-[butyl(dichloro)silyl]butanenitrile?
4-[butyl(dichloro)silyl]butanenitrile has a molecular weight of 224.21 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(dichloro)silyl]butanenitrile is sourced from PubChem (CID 11806313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).