3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile

C21H27NOSi — CID 16735108

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H27NOSi/c1-20(2,3)24(18-12-8-6-9-13-18,19-14-10-7-11-15-19)23-17-21(4,5)16-22/h6-15H,17H2,1-5H3
InChIKeyMSSLGWZYNYTSSB-UHFFFAOYSA-N
MW337.54 g/mol
LogP4.11
Rot. Bonds5

About 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile

3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile (PubChem CID 16735108) has the molecular formula C21H27NOSi and a molecular weight of 337.54 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile
PubChem CID16735108
Molecular FormulaC21H27NOSi
Molecular Weight337.54 g/mol
Exact Mass337.19
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H27NOSi/c1-20(2,3)24(18-12-8-6-9-13-18,19-14-10-7-11-15-19)23-17-21(4,5)16-22/h6-15H,17H2,1-5H3
InChIKeyMSSLGWZYNYTSSB-UHFFFAOYSA-N
XLogP4.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.11
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 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile (CID 16735108) is 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile is CC(C)(C#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile?
The InChIKey is MSSLGWZYNYTSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NOSi/c1-20(2,3)24(18-12-8-6-9-13-18,19-14-10-7-11-15-19)23-17-21(4,5)16-22/h6-15H,17H2,1-5H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile?
3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile has a molecular weight of 337.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropanenitrile is sourced from PubChem (CID 16735108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).