4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile

C17H19NSi — CID 173322373

IUPAC4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile
SMILESCc1ccccc1C[Si](C)(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H19NSi/c1-14-6-4-5-7-16(14)13-19(2,3)17-10-8-15(12-18)9-11-17/h4-11H,13H2,1-3H3
InChIKeyBMBMJBOBTRSKAW-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.56
Rot. Bonds3

About 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile

4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile (PubChem CID 173322373) has the molecular formula C17H19NSi and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile.

Molecular Properties

Compound Name4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile
PubChem CID173322373
Molecular FormulaC17H19NSi
Molecular Weight265.43 g/mol
Exact Mass265.13
IUPAC Name4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile
SMILESCc1ccccc1C[Si](C)(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H19NSi/c1-14-6-4-5-7-16(14)13-19(2,3)17-10-8-15(12-18)9-11-17/h4-11H,13H2,1-3H3
InChIKeyBMBMJBOBTRSKAW-UHFFFAOYSA-N
XLogP3.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile?
The IUPAC name of 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile (CID 173322373) is 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile.
What is the SMILES notation for 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile?
The canonical SMILES for 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile is Cc1ccccc1C[Si](C)(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile?
The InChIKey is BMBMJBOBTRSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NSi/c1-14-6-4-5-7-16(14)13-19(2,3)17-10-8-15(12-18)9-11-17/h4-11H,13H2,1-3H3.
What are the key properties of 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile?
4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile has a molecular weight of 265.43 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl-[(2-methylphenyl)methyl]silyl]benzonitrile is sourced from PubChem (CID 173322373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).