(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile

C14H21NO2Si — CID 125466010

IUPAC(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile
SMILESCOCC[C@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2Si/c1-16-11-10-14(12-15,17-18(2,3)4)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3/t14-/m1/s1
InChIKeyMTVVECAHROPKOA-CQSZACIVSA-N
MW263.41 g/mol
LogP3.29
Rot. Bonds6

About (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile

(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile (PubChem CID 125466010) has the molecular formula C14H21NO2Si and a molecular weight of 263.41 g/mol. Its IUPAC name is (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile
PubChem CID125466010
Molecular FormulaC14H21NO2Si
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile
SMILESCOCC[C@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2Si/c1-16-11-10-14(12-15,17-18(2,3)4)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3/t14-/m1/s1
InChIKeyMTVVECAHROPKOA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile?
The IUPAC name of (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile (CID 125466010) is (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile.
What is the SMILES notation for (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile?
The canonical SMILES for (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile is COCC[C@](C#N)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile?
The InChIKey is MTVVECAHROPKOA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO2Si/c1-16-11-10-14(12-15,17-18(2,3)4)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3/t14-/m1/s1.
What are the key properties of (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile?
(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile 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 (2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 125466010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).