(2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile

C17H25NOSi — CID 11414993

IUPAC(2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@](C#N)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NOSi/c1-20(2,3)19-17(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16H,5,8-9,12-13H2,1-3H3/t17-/m1/s1
InChIKeySHCISYFKCYKTAX-QGZVFWFLSA-N
MW287.48 g/mol
LogP4.84
Rot. Bonds4

About (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile

(2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile (PubChem CID 11414993) has the molecular formula C17H25NOSi and a molecular weight of 287.48 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile
PubChem CID11414993
Molecular FormulaC17H25NOSi
Molecular Weight287.48 g/mol
Exact Mass287.17
IUPAC Name(2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@](C#N)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NOSi/c1-20(2,3)19-17(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16H,5,8-9,12-13H2,1-3H3/t17-/m1/s1
InChIKeySHCISYFKCYKTAX-QGZVFWFLSA-N
XLogP4.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 54.84
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 (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile (CID 11414993) is (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)O[C@](C#N)(c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile?
The InChIKey is SHCISYFKCYKTAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NOSi/c1-20(2,3)19-17(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16H,5,8-9,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile?
(2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile has a molecular weight of 287.48 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-phenyl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 11414993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).