2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid

C15H27NO4Si — CID 161325711

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
SMILESCC1=C(C)C(CO[Si](C)(C)C(C)(C)C)N(C(=O)O)CC1=O
InChIInChI=1S/C15H27NO4Si/c1-10-11(2)13(17)8-16(14(18)19)12(10)9-20-21(6,7)15(3,4)5/h12H,8-9H2,1-7H3,(H,18,19)
InChIKeyVKSWNLPZDQQPGQ-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.28
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid (PubChem CID 161325711) has the molecular formula C15H27NO4Si and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
PubChem CID161325711
Molecular FormulaC15H27NO4Si
Molecular Weight313.47 g/mol
Exact Mass313.17
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
SMILESCC1=C(C)C(CO[Si](C)(C)C(C)(C)C)N(C(=O)O)CC1=O
InChIInChI=1S/C15H27NO4Si/c1-10-11(2)13(17)8-16(14(18)19)12(10)9-20-21(6,7)15(3,4)5/h12H,8-9H2,1-7H3,(H,18,19)
InChIKeyVKSWNLPZDQQPGQ-UHFFFAOYSA-N
XLogP3.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid (CID 161325711) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid is CC1=C(C)C(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]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid?
The InChIKey is VKSWNLPZDQQPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4Si/c1-10-11(2)13(17)8-16(14(18)19)12(10)9-20-21(6,7)15(3,4)5/h12H,8-9H2,1-7H3,(H,18,19).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid has a molecular weight of 313.47 g/mol, XLogP of 3.28, 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]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 161325711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).