methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate

C15H27NO3Si — CID 66731637

IUPACmethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(CO[Si](C)(C)C(C)(C)C)=CC1C
InChIInChI=1S/C15H27NO3Si/c1-12-10-13(8-9-16(12)14(17)18-5)11-19-20(6,7)15(2,3)4/h8-10,12H,11H2,1-7H3
InChIKeyIXOQOQIMSSVDRC-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.92
Rot. Bonds3

About methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate

methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate (PubChem CID 66731637) has the molecular formula C15H27NO3Si and a molecular weight of 297.47 g/mol. Its IUPAC name is methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate
PubChem CID66731637
Molecular FormulaC15H27NO3Si
Molecular Weight297.47 g/mol
Exact Mass297.18
IUPAC Namemethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(CO[Si](C)(C)C(C)(C)C)=CC1C
InChIInChI=1S/C15H27NO3Si/c1-12-10-13(8-9-16(12)14(17)18-5)11-19-20(6,7)15(2,3)4/h8-10,12H,11H2,1-7H3
InChIKeyIXOQOQIMSSVDRC-UHFFFAOYSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
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 methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate (CID 66731637) is methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate is COC(=O)N1C=CC(CO[Si](C)(C)C(C)(C)C)=CC1C.
What is the InChIKey of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate?
The InChIKey is IXOQOQIMSSVDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3Si/c1-12-10-13(8-9-16(12)14(17)18-5)11-19-20(6,7)15(2,3)4/h8-10,12H,11H2,1-7H3.
What are the key properties of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate?
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate has a molecular weight of 297.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 66731637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).