2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile

C15H21NOSi — CID 101208199

IUPAC2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(c1ccccc1)C1CCC1
InChIInChI=1S/C15H21NOSi/c1-18(2,3)17-15(12-16,14-10-7-11-14)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-11H2,1-3H3
InChIKeyCXFZKNXBHXPLIA-UHFFFAOYSA-N
MW259.43 g/mol
LogP4.06
Rot. Bonds4

About 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile

2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile (PubChem CID 101208199) has the molecular formula C15H21NOSi and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile
PubChem CID101208199
Molecular FormulaC15H21NOSi
Molecular Weight259.43 g/mol
Exact Mass259.14
IUPAC Name2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(c1ccccc1)C1CCC1
InChIInChI=1S/C15H21NOSi/c1-18(2,3)17-15(12-16,14-10-7-11-14)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-11H2,1-3H3
InChIKeyCXFZKNXBHXPLIA-UHFFFAOYSA-N
XLogP4.06
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclobutyl-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

N-(2-cyclohexyl-2-phenyl-2-trimethylsilyloxyethylidene)hydroxylamine
CID 154299369
[(S)-cyclohexyl-[(2S)-oxiran-2-yl]-phenylmethoxy]-trimethylsilane
CID 125497693
(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 99770712
methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
CID 45379026
3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 101209370
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 134856178
trimethyl(trityloxy)silane
CID 11067560
2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile
CID 70302737
1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one
CID 15105840
(2,3-diphenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10068766
(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 125466010

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile (CID 101208199) is 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)(c1ccccc1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile?
The InChIKey is CXFZKNXBHXPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOSi/c1-18(2,3)17-15(12-16,14-10-7-11-14)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-11H2,1-3H3.
What are the key properties of 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile?
2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile has a molecular weight of 259.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 101208199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).