(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile

C21H29NOSi — CID 99770712

IUPAC(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@](C#N)(c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NOSi/c1-24(2,3)23-21(15-22,19-7-5-4-6-8-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h4-8,16-18H,9-14H2,1-3H3/t16?,17?,18?,20?,21-/m1/s1
InChIKeyWAWROMTVJYHHMA-YFFNCEPWSA-N
MW339.56 g/mol
LogP5.47
Rot. Bonds4

About (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile

(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile (PubChem CID 99770712) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile
PubChem CID99770712
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC Name(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@](C#N)(c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NOSi/c1-24(2,3)23-21(15-22,19-7-5-4-6-8-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h4-8,16-18H,9-14H2,1-3H3/t16?,17?,18?,20?,21-/m1/s1
InChIKeyWAWROMTVJYHHMA-YFFNCEPWSA-N
XLogP5.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(1-adamantyl)-1-phenylethanol
CID 7116226
3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 101209370
2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 101208199
2-(1-adamantyl)-2-diethoxyphosphoryl-1-phenyl-2-trimethylsilyloxyethanone
CID 46180311
(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 125466010
(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 125466185
trimethyl(trityloxy)silane
CID 11067560
(2R)-2-phenyl-2-trimethylsilyloxynonanenitrile
CID 129403873
(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile
CID 12024907
3-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 11208204
(2,3-diphenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10068766
methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
CID 45379026

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile (CID 99770712) is (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)O[C@](C#N)(c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile?
The InChIKey is WAWROMTVJYHHMA-YFFNCEPWSA-N. The full InChI is InChI=1S/C21H29NOSi/c1-24(2,3)23-21(15-22,19-7-5-4-6-8-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h4-8,16-18H,9-14H2,1-3H3/t16?,17?,18?,20?,21-/m1/s1.
What are the key properties of (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile?
(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile has a molecular weight of 339.56 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 99770712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).