3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one

C22H25NO2Si — CID 59410156

IUPAC3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
SMILESCC(C)(C)[Si](OCc1ccc[nH]c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)25-17-18-11-10-16-23-21(18)24/h4-16H,17H2,1-3H3,(H,23,24)
InChIKeyYEKVLCRYGACPJX-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.45
Rot. Bonds5

About 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one

3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one (PubChem CID 59410156) has the molecular formula C22H25NO2Si and a molecular weight of 363.53 g/mol. Its IUPAC name is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
PubChem CID59410156
Molecular FormulaC22H25NO2Si
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
SMILESCC(C)(C)[Si](OCc1ccc[nH]c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)25-17-18-11-10-16-23-21(18)24/h4-16H,17H2,1-3H3,(H,23,24)
InChIKeyYEKVLCRYGACPJX-UHFFFAOYSA-N
XLogP3.45
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11169578
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 16655856
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 86086582
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
CID 178119164
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one (CID 59410156) is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one is CC(C)(C)[Si](OCc1ccc[nH]c1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one?
The InChIKey is YEKVLCRYGACPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)25-17-18-11-10-16-23-21(18)24/h4-16H,17H2,1-3H3,(H,23,24).
What are the key properties of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one?
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one has a molecular weight of 363.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one is sourced from PubChem (CID 59410156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).