(2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile

C14H21NOSi — CID 100941411

IUPAC(2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile
SMILESCC(C)[C@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NOSi/c1-12(2)14(11-15,16-17(3,4)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3/t14-/m0/s1
InChIKeyCEVFOONPARFFJY-AWEZNQCLSA-N
MW247.41 g/mol
LogP3.91
Rot. Bonds4

About (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile

(2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile (PubChem CID 100941411) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name(2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile
PubChem CID100941411
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name(2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile
SMILESCC(C)[C@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NOSi/c1-12(2)14(11-15,16-17(3,4)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3/t14-/m0/s1
InChIKeyCEVFOONPARFFJY-AWEZNQCLSA-N
XLogP3.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.91
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

Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
(2S)-2-Hydroxy-2-phenylpropanenitrile
CID 11040841
3-Hydroxy-3-phenylbutanenitrile
CID 539233
2-[Hydroxy(diphenyl)methyl]butanenitrile
CID 90730
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-[4-(Trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 11818146
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040
Silane, trimethyl(1-methyl-1-phenylethoxy)-
CID 606221
(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-phenylacetonitrile
CID 5325032
2-[Tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
CID 10610516

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile?
The IUPAC name of (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile (CID 100941411) is (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile.
What is the SMILES notation for (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile?
The canonical SMILES for (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile is CC(C)[C@](C#N)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile?
The InChIKey is CEVFOONPARFFJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-12(2)14(11-15,16-17(3,4)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile?
(2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile has a molecular weight of 247.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 100941411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).