lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile

C12H16LiNOSi — CID 134884409

IUPAClithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCc1ccc([C-](C#N)O[Si](C)(C)C)cc1.[Li+]
InChIInChI=1S/C12H16NOSi.Li/c1-10-5-7-11(8-6-10)12(9-13)14-15(2,3)4;/h5-8H,1-4H3;/q-1;+1
InChIKeyPPIABCBRLNFQGD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.25
Rot. Bonds3

About lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile

lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 134884409) has the molecular formula C12H16LiNOSi and a molecular weight of 225.29 g/mol. Its IUPAC name is lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Namelithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID134884409
Molecular FormulaC12H16LiNOSi
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Namelithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCc1ccc([C-](C#N)O[Si](C)(C)C)cc1.[Li+]
InChIInChI=1S/C12H16NOSi.Li/c1-10-5-7-11(8-6-10)12(9-13)14-15(2,3)4;/h5-8H,1-4H3;/q-1;+1
InChIKeyPPIABCBRLNFQGD-UHFFFAOYSA-N
XLogP0.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile (CID 134884409) is lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile is Cc1ccc([C-](C#N)O[Si](C)(C)C)cc1.[Li+].
What is the InChIKey of lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is PPIABCBRLNFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NOSi.Li/c1-10-5-7-11(8-6-10)12(9-13)14-15(2,3)4;/h5-8H,1-4H3;/q-1;+1.
What are the key properties of lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile?
lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 225.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 134884409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).