[diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate

C13H21NO4Si — CID 68836561

IUPAC[diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate
SMILESCCO[Si](C)(COC(=O)Cc1ccncc1)OCC
InChIInChI=1S/C13H21NO4Si/c1-4-17-19(3,18-5-2)11-16-13(15)10-12-6-8-14-9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyXQEDFVOQQXZVJF-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.85
Rot. Bonds8

About [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate

[diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate (PubChem CID 68836561) has the molecular formula C13H21NO4Si and a molecular weight of 283.40 g/mol. Its IUPAC name is [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate.

Molecular Properties

Compound Name[diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate
PubChem CID68836561
Molecular FormulaC13H21NO4Si
Molecular Weight283.40 g/mol
Exact Mass283.12
IUPAC Name[diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate
SMILESCCO[Si](C)(COC(=O)Cc1ccncc1)OCC
InChIInChI=1S/C13H21NO4Si/c1-4-17-19(3,18-5-2)11-16-13(15)10-12-6-8-14-9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyXQEDFVOQQXZVJF-UHFFFAOYSA-N
XLogP1.85
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate?
The IUPAC name of [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate (CID 68836561) is [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate.
What is the SMILES notation for [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate?
The canonical SMILES for [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate is CCO[Si](C)(COC(=O)Cc1ccncc1)OCC.
What is the InChIKey of [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate?
The InChIKey is XQEDFVOQQXZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4Si/c1-4-17-19(3,18-5-2)11-16-13(15)10-12-6-8-14-9-7-12/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate?
[diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate has a molecular weight of 283.40 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(methyl)silyl]methyl 2-pyridin-4-ylacetate is sourced from PubChem (CID 68836561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).