(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile

C24H25NOSi — CID 18653746

IUPAC(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
SMILESCC(C)(C)[Si](O[C@@H](C#N)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NOSi/c1-24(2,3)27(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-23(19-25)20-13-7-4-8-14-20/h4-18,23H,1-3H3/t23-/m0/s1
InChIKeyKSLSPYITBLIDHB-QHCPKHFHSA-N
MW371.56 g/mol
LogP4.83
Rot. Bonds5

About (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile

(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile (PubChem CID 18653746) has the molecular formula C24H25NOSi and a molecular weight of 371.56 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
PubChem CID18653746
Molecular FormulaC24H25NOSi
Molecular Weight371.56 g/mol
Exact Mass371.17
IUPAC Name(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
SMILESCC(C)(C)[Si](O[C@@H](C#N)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NOSi/c1-24(2,3)27(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-23(19-25)20-13-7-4-8-14-20/h4-18,23H,1-3H3/t23-/m0/s1
InChIKeyKSLSPYITBLIDHB-QHCPKHFHSA-N
XLogP4.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
(2S,3R,4R)-2-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methyl-4-phenylbutanenitrile
CID 102433786
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
CID 50901805
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
N'-[3-benzyl-5-[(S)-[tert-butyl(diphenyl)silyl]oxy-cyanomethyl]imidazol-4-yl]-N,N-dimethylmethanimidamide
CID 71070653
tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane
CID 10713704
2-phenyl-2-trimethylsilylperoxyacetonitrile
CID 87211766
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
CID 177474808
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile?
The IUPAC name of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile (CID 18653746) is (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile is CC(C)(C)[Si](O[C@@H](C#N)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile?
The InChIKey is KSLSPYITBLIDHB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NOSi/c1-24(2,3)27(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-23(19-25)20-13-7-4-8-14-20/h4-18,23H,1-3H3/t23-/m0/s1.
What are the key properties of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile?
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile has a molecular weight of 371.56 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile is sourced from PubChem (CID 18653746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).