2-phenyl-2-trimethylsilyloxyacetonitrile

C11H15NOSi — CID 605484

IUPAC2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccccc1
InChIInChI=1S/C11H15NOSi/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChIKeyDTAFQWDNWAXRLX-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.10
Rot. Bonds3

About 2-phenyl-2-trimethylsilyloxyacetonitrile

2-phenyl-2-trimethylsilyloxyacetonitrile (PubChem CID 605484) has the molecular formula C11H15NOSi and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-phenyl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-phenyl-2-trimethylsilyloxyacetonitrile
PubChem CID605484
Molecular FormulaC11H15NOSi
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccccc1
InChIInChI=1S/C11H15NOSi/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChIKeyDTAFQWDNWAXRLX-UHFFFAOYSA-N
XLogP3.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.10
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

Mandelonitrile
CID 10758
(S)-Mandelonitrile
CID 439767
Mandelonitrile, (+)-
CID 9548674
2-[Hydroxy(phenyl)methyl]prop-2-enenitrile
CID 10241077
Benzyloxytrimethylsilane
CID 518982
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
2-Methoxy-2-phenylacetonitrile
CID 320056
(3S)-3-hydroxy-3-phenylpropanenitrile
CID 11084031
gamma-Methoxybenzenebutanenitrile
CID 97991
3-Hydroxy-3-phenylpropanenitrile
CID 86524
(3R)-3-hydroxy-3-phenylpropanenitrile
CID 10130035
gamma-Ethoxybenzenebutanenitrile
CID 97967

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-phenyl-2-trimethylsilyloxyacetonitrile (CID 605484) is 2-phenyl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-phenyl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-phenyl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1ccccc1.
What is the InChIKey of 2-phenyl-2-trimethylsilyloxyacetonitrile?
The InChIKey is DTAFQWDNWAXRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOSi/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10/h4-8,11H,1-3H3.
What are the key properties of 2-phenyl-2-trimethylsilyloxyacetonitrile?
2-phenyl-2-trimethylsilyloxyacetonitrile has a molecular weight of 205.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 605484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).