(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile

C14H20ClNOSi — CID 10912974

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNOSi/c1-14(2,3)18(4,5)17-13(10-16)11-6-8-12(15)9-7-11/h6-9,13H,1-5H3/t13-/m1/s1
InChIKeyAWKLQSJFAVMUCA-CYBMUJFWSA-N
MW281.86 g/mol
LogP4.93
Rot. Bonds3

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile (PubChem CID 10912974) has the molecular formula C14H20ClNOSi and a molecular weight of 281.86 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
PubChem CID10912974
Molecular FormulaC14H20ClNOSi
Molecular Weight281.86 g/mol
Exact Mass281.10
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNOSi/c1-14(2,3)18(4,5)17-13(10-16)11-6-8-12(15)9-7-11/h6-9,13H,1-5H3/t13-/m1/s1
InChIKeyAWKLQSJFAVMUCA-CYBMUJFWSA-N
XLogP4.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.86
LogP ≤ 54.93
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-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile (CID 10912974) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile is CC(C)(C)[Si](C)(C)O[C@H](C#N)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile?
The InChIKey is AWKLQSJFAVMUCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20ClNOSi/c1-14(2,3)18(4,5)17-13(10-16)11-6-8-12(15)9-7-11/h6-9,13H,1-5H3/t13-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile has a molecular weight of 281.86 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile is sourced from PubChem (CID 10912974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).