2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile

C11H14ClNOSi — CID 13352431

IUPAC2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNOSi/c1-15(2,3)14-11(8-13)9-5-4-6-10(12)7-9/h4-7,11H,1-3H3
InChIKeyRNOOTRCEYZUFOL-UHFFFAOYSA-N
MW239.78 g/mol
LogP3.76
Rot. Bonds3

About 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile

2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 13352431) has the molecular formula C11H14ClNOSi and a molecular weight of 239.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID13352431
Molecular FormulaC11H14ClNOSi
Molecular Weight239.78 g/mol
Exact Mass239.05
IUPAC Name2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNOSi/c1-15(2,3)14-11(8-13)9-5-4-6-10(12)7-9/h4-7,11H,1-3H3
InChIKeyRNOOTRCEYZUFOL-UHFFFAOYSA-N
XLogP3.76
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile (CID 13352431) is 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is RNOOTRCEYZUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOSi/c1-15(2,3)14-11(8-13)9-5-4-6-10(12)7-9/h4-7,11H,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 239.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 13352431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).