3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate

C14H23NO4Si — CID 68839365

IUPAC3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate
SMILESCCO[Si](C)(CCCOC(=O)c1ccncc1)OCC
InChIInChI=1S/C14H23NO4Si/c1-4-18-20(3,19-5-2)12-6-11-17-14(16)13-7-9-15-10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyJLAXLYLUCHZKLJ-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.77
Rot. Bonds9

About 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate

3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate (PubChem CID 68839365) has the molecular formula C14H23NO4Si and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate
PubChem CID68839365
Molecular FormulaC14H23NO4Si
Molecular Weight297.43 g/mol
Exact Mass297.14
IUPAC Name3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate
SMILESCCO[Si](C)(CCCOC(=O)c1ccncc1)OCC
InChIInChI=1S/C14H23NO4Si/c1-4-18-20(3,19-5-2)12-6-11-17-14(16)13-7-9-15-10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyJLAXLYLUCHZKLJ-UHFFFAOYSA-N
XLogP2.77
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pentyl pyridine-4-carboxylate
CID 531655
undecyl pyridine-4-carboxylate
CID 531738
nonyl pyridine-4-carboxylate
CID 531737
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
4-hydroxybutyl pyridine-4-carboxylate
CID 126720845
3-(methylamino)propyl pyridine-4-carboxylate
CID 154943114
3-triethoxysilylpropyl 4-iodobenzoate
CID 153491390
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
3-methylbutyl pyridine-4-carboxylate
CID 12509138
3-pyridin-4-ylpropyl 4-ethoxybenzoate
CID 134050749
bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate
CID 11502797

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate?
The IUPAC name of 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate (CID 68839365) is 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate is CCO[Si](C)(CCCOC(=O)c1ccncc1)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate?
The InChIKey is JLAXLYLUCHZKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4Si/c1-4-18-20(3,19-5-2)12-6-11-17-14(16)13-7-9-15-10-8-13/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate?
3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate has a molecular weight of 297.43 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate is sourced from PubChem (CID 68839365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).