4-[methyl(phenyl)silyl]butanenitrile

C11H15NSi — CID 123718156

IUPAC4-[methyl(phenyl)silyl]butanenitrile
SMILESC[SiH](CCCC#N)c1ccccc1
InChIInChI=1S/C11H15NSi/c1-13(10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,13H,5-6,10H2,1H3
InChIKeyIOHPFTOFYJTDQY-UHFFFAOYSA-N
MW189.33 g/mol
LogP2.05
Rot. Bonds4

About 4-[methyl(phenyl)silyl]butanenitrile

4-[methyl(phenyl)silyl]butanenitrile (PubChem CID 123718156) has the molecular formula C11H15NSi and a molecular weight of 189.33 g/mol. Its IUPAC name is 4-[methyl(phenyl)silyl]butanenitrile.

Molecular Properties

Compound Name4-[methyl(phenyl)silyl]butanenitrile
PubChem CID123718156
Molecular FormulaC11H15NSi
Molecular Weight189.33 g/mol
Exact Mass189.10
IUPAC Name4-[methyl(phenyl)silyl]butanenitrile
SMILESC[SiH](CCCC#N)c1ccccc1
InChIInChI=1S/C11H15NSi/c1-13(10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,13H,5-6,10H2,1H3
InChIKeyIOHPFTOFYJTDQY-UHFFFAOYSA-N
XLogP2.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 52.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)silyl]butanenitrile?
The IUPAC name of 4-[methyl(phenyl)silyl]butanenitrile (CID 123718156) is 4-[methyl(phenyl)silyl]butanenitrile.
What is the SMILES notation for 4-[methyl(phenyl)silyl]butanenitrile?
The canonical SMILES for 4-[methyl(phenyl)silyl]butanenitrile is C[SiH](CCCC#N)c1ccccc1.
What is the InChIKey of 4-[methyl(phenyl)silyl]butanenitrile?
The InChIKey is IOHPFTOFYJTDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NSi/c1-13(10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,13H,5-6,10H2,1H3.
What are the key properties of 4-[methyl(phenyl)silyl]butanenitrile?
4-[methyl(phenyl)silyl]butanenitrile has a molecular weight of 189.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)silyl]butanenitrile is sourced from PubChem (CID 123718156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).