2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile

C18H19Cl2NO2Si — CID 158704674

IUPAC2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@H](C#N)c1ccccc1Cl.O=Cc1ccccc1Cl
InChIInChI=1S/C11H14ClNOSi.C7H5ClO/c1-15(2,3)14-11(8-13)9-6-4-5-7-10(9)12;8-7-4-2-1-3-6(7)5-9/h4-7,11H,1-3H3;1-5H/t11-;/m1./s1
InChIKeyIHYVIZUUNOUNAW-RFVHGSKJSA-N
MW380.35 g/mol
LogP5.91
Rot. Bonds4

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

2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 158704674) has the molecular formula C18H19Cl2NO2Si and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID158704674
Molecular FormulaC18H19Cl2NO2Si
Molecular Weight380.35 g/mol
Exact Mass379.06
IUPAC Name2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@H](C#N)c1ccccc1Cl.O=Cc1ccccc1Cl
InChIInChI=1S/C11H14ClNOSi.C7H5ClO/c1-15(2,3)14-11(8-13)9-6-4-5-7-10(9)12;8-7-4-2-1-3-6(7)5-9/h4-7,11H,1-3H3;1-5H/t11-;/m1./s1
InChIKeyIHYVIZUUNOUNAW-RFVHGSKJSA-N
XLogP5.91
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.35
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile
CID 160870687
2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile
CID 79982485
[(S)-(2-chlorophenyl)-cyanomethyl] ethyl carbonate
CID 11658765
2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile
CID 131052691
[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane
CID 159975802
2-chlorobenzaldehyde;2-nitrobenzonitrile
CID 87358266
2-(2-chlorophenyl)-3-[di(propan-2-yl)amino]butanenitrile
CID 67903059
2-aminopropanoic acid;2-chlorobenzaldehyde;copper
CID 175322684
2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 134884261
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
(2S)-2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetaldehyde
CID 125465616
2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 14566879

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile (CID 158704674) is 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)O[C@H](C#N)c1ccccc1Cl.O=Cc1ccccc1Cl.
What is the InChIKey of 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is IHYVIZUUNOUNAW-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H14ClNOSi.C7H5ClO/c1-15(2,3)14-11(8-13)9-6-4-5-7-10(9)12;8-7-4-2-1-3-6(7)5-9/h4-7,11H,1-3H3;1-5H/t11-;/m1./s1.
What are the key properties of 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile?
2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 380.35 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 158704674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).