(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile

C14H21NO2Si — CID 125466185

IUPAC(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile
SMILESCCOC[C@@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2Si/c1-5-16-12-14(11-15,17-18(2,3)4)13-9-7-6-8-10-13/h6-10H,5,12H2,1-4H3/t14-/m1/s1
InChIKeyZOZLVDIFSLHFCZ-CQSZACIVSA-N
MW263.41 g/mol
LogP3.29
Rot. Bonds6

About (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile

(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile (PubChem CID 125466185) has the molecular formula C14H21NO2Si and a molecular weight of 263.41 g/mol. Its IUPAC name is (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile
PubChem CID125466185
Molecular FormulaC14H21NO2Si
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile
SMILESCCOC[C@@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2Si/c1-5-16-12-14(11-15,17-18(2,3)4)13-9-7-6-8-10-13/h6-10H,5,12H2,1-4H3/t14-/m1/s1
InChIKeyZOZLVDIFSLHFCZ-CQSZACIVSA-N
XLogP3.29
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.29
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

3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 101209370
(2R)-2-phenyl-2-trimethylsilyloxynonanenitrile
CID 129403873
(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 125466010
(2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 101099109
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
[(1S)-1-cyano-1-phenylpropyl] acetate
CID 102321496
trimethyl(trityloxy)silane
CID 11067560
(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile
CID 12024907
3-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 11208204
(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 99770712
(2,3-diphenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10068766
2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 101208199

Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile?
The IUPAC name of (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile (CID 125466185) is (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile is CCOC[C@@](C#N)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile?
The InChIKey is ZOZLVDIFSLHFCZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO2Si/c1-5-16-12-14(11-15,17-18(2,3)4)13-9-7-6-8-10-13/h6-10H,5,12H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile?
(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile has a molecular weight of 263.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 125466185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).