2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate

C23H41NO11Si — CID 68834692

IUPAC2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate
SMILESCOC(C)OC(C)O[Si](CCOC(=O)c1ccncc1)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C23H41NO11Si/c1-16(26-7)30-19(4)33-36(34-20(5)31-17(2)27-8,35-21(6)32-18(3)28-9)15-14-29-23(25)22-10-12-24-13-11-22/h10-13,16-21H,14-15H2,1-9H3
InChIKeyGGOWEMBYAYGMLJ-UHFFFAOYSA-N
MW535.66 g/mol
LogP3.29
Rot. Bonds19

About 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate

2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate (PubChem CID 68834692) has the molecular formula C23H41NO11Si and a molecular weight of 535.66 g/mol. Its IUPAC name is 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate.

Molecular Properties

Compound Name2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate
PubChem CID68834692
Molecular FormulaC23H41NO11Si
Molecular Weight535.66 g/mol
Exact Mass535.24
IUPAC Name2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate
SMILESCOC(C)OC(C)O[Si](CCOC(=O)c1ccncc1)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C23H41NO11Si/c1-16(26-7)30-19(4)33-36(34-20(5)31-17(2)27-8,35-21(6)32-18(3)28-9)15-14-29-23(25)22-10-12-24-13-11-22/h10-13,16-21H,14-15H2,1-9H3
InChIKeyGGOWEMBYAYGMLJ-UHFFFAOYSA-N
XLogP3.29
TPSA122.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.66
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methylbutyl pyridine-4-carboxylate
CID 12509138
pentyl pyridine-4-carboxylate
CID 531655
undecyl pyridine-4-carboxylate
CID 531738
nonyl pyridine-4-carboxylate
CID 531737
tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate
CID 69012079
4-hydroxybutyl pyridine-4-carboxylate
CID 126720845
hydroxymethyl pyridine-4-carboxylate
CID 139367391
3-(methylamino)propyl pyridine-4-carboxylate
CID 154943114
3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate
CID 68839365
2-(tert-butylamino)ethyl pyridine-4-carboxylate
CID 130375151
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536

Frequently Asked Questions

What is the IUPAC name of 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate?
The IUPAC name of 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate (CID 68834692) is 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate.
What is the SMILES notation for 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate?
The canonical SMILES for 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate is COC(C)OC(C)O[Si](CCOC(=O)c1ccncc1)(OC(C)OC(C)OC)OC(C)OC(C)OC.
What is the InChIKey of 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate?
The InChIKey is GGOWEMBYAYGMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO11Si/c1-16(26-7)30-19(4)33-36(34-20(5)31-17(2)27-8,35-21(6)32-18(3)28-9)15-14-29-23(25)22-10-12-24-13-11-22/h10-13,16-21H,14-15H2,1-9H3.
What are the key properties of 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate?
2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate has a molecular weight of 535.66 g/mol, XLogP of 3.29, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate is sourced from PubChem (CID 68834692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).