4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile

C12H14N2OSi — CID 10977294

IUPAC4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile
SMILESC[Si](C)(C)O[C@@H](C#N)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2OSi/c1-16(2,3)15-12(9-14)11-6-4-10(8-13)5-7-11/h4-7,12H,1-3H3/t12-/m0/s1
InChIKeyXPXHTAMAYYQTPB-LBPRGKRZSA-N
MW230.34 g/mol
LogP2.97
Rot. Bonds3

About 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile

4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile (PubChem CID 10977294) has the molecular formula C12H14N2OSi and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile
PubChem CID10977294
Molecular FormulaC12H14N2OSi
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile
SMILESC[Si](C)(C)O[C@@H](C#N)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2OSi/c1-16(2,3)15-12(9-14)11-6-4-10(8-13)5-7-11/h4-7,12H,1-3H3/t12-/m0/s1
InChIKeyXPXHTAMAYYQTPB-LBPRGKRZSA-N
XLogP2.97
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410
2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 18463714
2-(4-phenylmethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 15327372
4-(1-trimethylsilyloxybut-3-enyl)benzonitrile
CID 132540414
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
CID 10912974
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile
CID 11033169
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(2R)-3-methylbutan-2-yl]benzonitrile
CID 89060357
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
2-phenyl-2-trimethylsilylperoxyacetonitrile
CID 87211766

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile?
The IUPAC name of 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile (CID 10977294) is 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile.
What is the SMILES notation for 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile?
The canonical SMILES for 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile is C[Si](C)(C)O[C@@H](C#N)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile?
The InChIKey is XPXHTAMAYYQTPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2OSi/c1-16(2,3)15-12(9-14)11-6-4-10(8-13)5-7-11/h4-7,12H,1-3H3/t12-/m0/s1.
What are the key properties of 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile?
4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile has a molecular weight of 230.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile is sourced from PubChem (CID 10977294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).