(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile

C20H25NO2Si — CID 101480044

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H25NO2Si/c1-20(2,3)24(4,5)23-19(15-21)16-10-9-13-18(14-16)22-17-11-7-6-8-12-17/h6-14,19H,1-5H3/t19-/m0/s1
InChIKeyGFSSJUKIUMUZOY-IBGZPJMESA-N
MW339.51 g/mol
LogP6.07
Rot. Bonds5

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile (PubChem CID 101480044) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile
PubChem CID101480044
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H25NO2Si/c1-20(2,3)24(4,5)23-19(15-21)16-10-9-13-18(14-16)22-17-11-7-6-8-12-17/h6-14,19H,1-5H3/t19-/m0/s1
InChIKeyGFSSJUKIUMUZOY-IBGZPJMESA-N
XLogP6.07
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile (CID 101480044) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile is CC(C)(C)[Si](C)(C)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile?
The InChIKey is GFSSJUKIUMUZOY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-20(2,3)24(4,5)23-19(15-21)16-10-9-13-18(14-16)22-17-11-7-6-8-12-17/h6-14,19H,1-5H3/t19-/m0/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile has a molecular weight of 339.51 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxyphenyl)acetonitrile is sourced from PubChem (CID 101480044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).