2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one

C13H23NO3Si — CID 140824907

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C13H23NO3Si/c1-13(2,3)18(5,6)17-9-10-7-11(15)12(16-4)8-14-10/h7-8H,9H2,1-6H3,(H,14,15)
InChIKeyGJTXPXMJSLRKQW-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.91
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 140824907) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one
PubChem CID140824907
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C13H23NO3Si/c1-13(2,3)18(5,6)17-9-10-7-11(15)12(16-4)8-14-10/h7-8H,9H2,1-6H3,(H,14,15)
InChIKeyGJTXPXMJSLRKQW-UHFFFAOYSA-N
XLogP2.91
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
CID 15649271
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxybenzaldehyde
CID 19348493
5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one
CID 91830555
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-pyridinyl] trifluoromethanesulfonate
CID 140824920
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8-dimethoxynaphthalene-1,2-dione
CID 100999314
tert-butyl-[(3-methoxy-4-propan-2-ylphenyl)methoxy]-dimethylsilane
CID 174039904
dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 67112429
[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol
CID 91214846
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one
CID 46938474
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde
CID 46211282

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one (CID 140824907) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(CO[Si](C)(C)C(C)(C)C)cc1=O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is GJTXPXMJSLRKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-13(2,3)18(5,6)17-9-10-7-11(15)12(16-4)8-14-10/h7-8H,9H2,1-6H3,(H,14,15).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 269.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 140824907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).