(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile

C13H19NO2Si — CID 124630227

IUPAC(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCCOc1ccccc1[C@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C13H19NO2Si/c1-5-15-12-9-7-6-8-11(12)13(10-14)16-17(2,3)4/h6-9,13H,5H2,1-4H3/t13-/m0/s1
InChIKeyMAYFTTLXNLPOKU-ZDUSSCGKSA-N
MW249.39 g/mol
LogP3.50
Rot. Bonds5

About (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile

(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 124630227) has the molecular formula C13H19NO2Si and a molecular weight of 249.39 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID124630227
Molecular FormulaC13H19NO2Si
Molecular Weight249.39 g/mol
Exact Mass249.12
IUPAC Name(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCCOc1ccccc1[C@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C13H19NO2Si/c1-5-15-12-9-7-6-8-11(12)13(10-14)16-17(2,3)4/h6-9,13H,5H2,1-4H3/t13-/m0/s1
InChIKeyMAYFTTLXNLPOKU-ZDUSSCGKSA-N
XLogP3.50
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 125466839
2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
CID 57193661
2-ethoxy-2-(2-methoxyphenyl)acetonitrile
CID 66073171
2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 43114978
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
ethyl 2-[2-[cyano(hydroperoxy)methyl]phenoxy]acetate
CID 89328311
2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 158704674
2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 14566879
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
CID 107140033
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
2-(2-ethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 62586976
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile (CID 124630227) is (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile is CCOc1ccccc1[C@H](C#N)O[Si](C)(C)C.
What is the InChIKey of (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is MAYFTTLXNLPOKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO2Si/c1-5-15-12-9-7-6-8-11(12)13(10-14)16-17(2,3)4/h6-9,13H,5H2,1-4H3/t13-/m0/s1.
What are the key properties of (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 249.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 124630227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).