lithium 2-phenyl-2-trimethylsilyloxyacetonitrile

C11H14LiNOSi — CID 11458501

IUPAClithium 2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C-](C#N)c1ccccc1.[Li+]
InChIInChI=1S/C11H14NOSi.Li/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10;/h4-8H,1-3H3;/q-1;+1
InChIKeySWKJMXMXNFSBOX-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.05
Rot. Bonds3

About lithium 2-phenyl-2-trimethylsilyloxyacetonitrile

lithium 2-phenyl-2-trimethylsilyloxyacetonitrile (PubChem CID 11458501) has the molecular formula C11H14LiNOSi and a molecular weight of 211.27 g/mol. Its IUPAC name is lithium 2-phenyl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Namelithium 2-phenyl-2-trimethylsilyloxyacetonitrile
PubChem CID11458501
Molecular FormulaC11H14LiNOSi
Molecular Weight211.27 g/mol
Exact Mass211.10
IUPAC Namelithium 2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C-](C#N)c1ccccc1.[Li+]
InChIInChI=1S/C11H14NOSi.Li/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10;/h4-8H,1-3H3;/q-1;+1
InChIKeySWKJMXMXNFSBOX-UHFFFAOYSA-N
XLogP-0.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.05
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-phenyl-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-phenyl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of lithium 2-phenyl-2-trimethylsilyloxyacetonitrile (CID 11458501) is lithium 2-phenyl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for lithium 2-phenyl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for lithium 2-phenyl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)O[C-](C#N)c1ccccc1.[Li+].
What is the InChIKey of lithium 2-phenyl-2-trimethylsilyloxyacetonitrile?
The InChIKey is SWKJMXMXNFSBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NOSi.Li/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10;/h4-8H,1-3H3;/q-1;+1.
What are the key properties of lithium 2-phenyl-2-trimethylsilyloxyacetonitrile?
lithium 2-phenyl-2-trimethylsilyloxyacetonitrile has a molecular weight of 211.27 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-phenyl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 11458501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).