2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid

C14H25NO4Si — CID 162091438

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
SMILESCC1=CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)O)CC1=O
InChIInChI=1S/C14H25NO4Si/c1-10-7-11(15(13(17)18)8-12(10)16)9-19-20(5,6)14(2,3)4/h7,11H,8-9H2,1-6H3,(H,17,18)
InChIKeyZDQXAUAYLHGYLU-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.89
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid (PubChem CID 162091438) has the molecular formula C14H25NO4Si and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
PubChem CID162091438
Molecular FormulaC14H25NO4Si
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
SMILESCC1=CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)O)CC1=O
InChIInChI=1S/C14H25NO4Si/c1-10-7-11(15(13(17)18)8-12(10)16)9-19-20(5,6)14(2,3)4/h7,11H,8-9H2,1-6H3,(H,17,18)
InChIKeyZDQXAUAYLHGYLU-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.89
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

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 161325711
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91568304
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69348864
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 174056820
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 123400116
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid
CID 66590923
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87828403
(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid
CID 174233839
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-pyridin-3-yl-2,5-dihydropyrrole-1-carboxylic acid
CID 174107446
tert-butyl (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 140795891
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid (CID 162091438) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid is CC1=CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)O)CC1=O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid?
The InChIKey is ZDQXAUAYLHGYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4Si/c1-10-7-11(15(13(17)18)8-12(10)16)9-19-20(5,6)14(2,3)4/h7,11H,8-9H2,1-6H3,(H,17,18).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid has a molecular weight of 299.44 g/mol, XLogP of 2.89, 3 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]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 162091438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).