(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile

C12H17NOSi — CID 11183590

IUPAC(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C12H17NOSi/c1-12(10-13,14-15(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/t12-/m0/s1
InChIKeyWMLSNOBYCXQZGG-LBPRGKRZSA-N
MW219.36 g/mol
LogP3.28
Rot. Bonds3

About (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile

(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile (PubChem CID 11183590) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile
PubChem CID11183590
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C12H17NOSi/c1-12(10-13,14-15(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/t12-/m0/s1
InChIKeyWMLSNOBYCXQZGG-LBPRGKRZSA-N
XLogP3.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 53.28
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 (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile?
The IUPAC name of (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile (CID 11183590) is (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile is C[C@@](C#N)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile?
The InChIKey is WMLSNOBYCXQZGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-12(10-13,14-15(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/t12-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile?
(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile has a molecular weight of 219.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 11183590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).