(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile

C11H14ClNOSi — CID 58618834

IUPAC(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@H](C#N)c1ccccc1Cl
InChIInChI=1S/C11H14ClNOSi/c1-15(2,3)14-11(8-13)9-6-4-5-7-10(9)12/h4-7,11H,1-3H3/t11-/m1/s1
InChIKeyJBQUIFCGWMPSPW-LLVKDONJSA-N
MW239.78 g/mol
LogP3.76
Rot. Bonds3

About (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile

(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 58618834) has the molecular formula C11H14ClNOSi and a molecular weight of 239.78 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID58618834
Molecular FormulaC11H14ClNOSi
Molecular Weight239.78 g/mol
Exact Mass239.05
IUPAC Name(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@H](C#N)c1ccccc1Cl
InChIInChI=1S/C11H14ClNOSi/c1-15(2,3)14-11(8-13)9-6-4-5-7-10(9)12/h4-7,11H,1-3H3/t11-/m1/s1
InChIKeyJBQUIFCGWMPSPW-LLVKDONJSA-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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Related Compounds

2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile
CID 97941
4-Chloro-gamma-ethoxybenzenebutanenitrile
CID 97939
2-(2-Chlorophenyl)-2-methoxyacetonitrile
CID 66072979
3-(3-Chlorophenyl)-3-hydroxypropanenitrile
CID 13004554
2-(2-Chlorophenyl)-2-hydroxyacetonitrile
CID 9898936
3-(2-Chlorophenyl)-3-hydroxypropanenitrile
CID 11975498
2-(2,6-Dichlorophenyl)-2-hydroxyacetonitrile
CID 13093564
(r)-o-Chloromandelonitrile
CID 11367217
2-[(2-Chlorophenyl)-hydroxymethyl]prop-2-enenitrile
CID 11446859
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile (CID 58618834) is (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)O[C@H](C#N)c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is JBQUIFCGWMPSPW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14ClNOSi/c1-15(2,3)14-11(8-13)9-6-4-5-7-10(9)12/h4-7,11H,1-3H3/t11-/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
(2S)-2-(2-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 (2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 58618834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).