2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile

C14H21NOSi — CID 11528892

IUPAC2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile
SMILESCC(C#N)(CCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C14H21NOSi/c1-14(12-15,16-17(2,3)4)11-10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChIKeyAZOGWRDZLKUPBG-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.75
Rot. Bonds5

About 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile

2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile (PubChem CID 11528892) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile
PubChem CID11528892
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile
SMILESCC(C#N)(CCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C14H21NOSi/c1-14(12-15,16-17(2,3)4)11-10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChIKeyAZOGWRDZLKUPBG-UHFFFAOYSA-N
XLogP3.75
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile?
The IUPAC name of 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile (CID 11528892) is 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile.
What is the SMILES notation for 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile?
The canonical SMILES for 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile is CC(C#N)(CCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile?
The InChIKey is AZOGWRDZLKUPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-14(12-15,16-17(2,3)4)11-10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3.
What are the key properties of 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile?
2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile has a molecular weight of 247.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-2-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 11528892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).