4-phenoxy-3-trimethylsilyloxybutanenitrile

C13H19NO2Si — CID 11791587

IUPAC4-phenoxy-3-trimethylsilyloxybutanenitrile
SMILESC[Si](C)(C)OC(CC#N)COc1ccccc1
InChIInChI=1S/C13H19NO2Si/c1-17(2,3)16-13(9-10-14)11-15-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3
InChIKeyCOXGFXYHXXZHLK-UHFFFAOYSA-N
MW249.39 g/mol
LogP3.20
Rot. Bonds6

About 4-phenoxy-3-trimethylsilyloxybutanenitrile

4-phenoxy-3-trimethylsilyloxybutanenitrile (PubChem CID 11791587) has the molecular formula C13H19NO2Si and a molecular weight of 249.39 g/mol. Its IUPAC name is 4-phenoxy-3-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name4-phenoxy-3-trimethylsilyloxybutanenitrile
PubChem CID11791587
Molecular FormulaC13H19NO2Si
Molecular Weight249.39 g/mol
Exact Mass249.12
IUPAC Name4-phenoxy-3-trimethylsilyloxybutanenitrile
SMILESC[Si](C)(C)OC(CC#N)COc1ccccc1
InChIInChI=1S/C13H19NO2Si/c1-17(2,3)16-13(9-10-14)11-15-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3
InChIKeyCOXGFXYHXXZHLK-UHFFFAOYSA-N
XLogP3.20
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 53.20
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 4-phenoxy-3-trimethylsilyloxybutanenitrile?
The IUPAC name of 4-phenoxy-3-trimethylsilyloxybutanenitrile (CID 11791587) is 4-phenoxy-3-trimethylsilyloxybutanenitrile.
What is the SMILES notation for 4-phenoxy-3-trimethylsilyloxybutanenitrile?
The canonical SMILES for 4-phenoxy-3-trimethylsilyloxybutanenitrile is C[Si](C)(C)OC(CC#N)COc1ccccc1.
What is the InChIKey of 4-phenoxy-3-trimethylsilyloxybutanenitrile?
The InChIKey is COXGFXYHXXZHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2Si/c1-17(2,3)16-13(9-10-14)11-15-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3.
What are the key properties of 4-phenoxy-3-trimethylsilyloxybutanenitrile?
4-phenoxy-3-trimethylsilyloxybutanenitrile has a molecular weight of 249.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-3-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 11791587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).