tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate

C22H39NO11Si — CID 69012079

IUPACtris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate
SMILESCOC(C)OC(C)O[Si](COC(=O)c1ccccn1)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C22H39NO11Si/c1-15(25-7)29-18(4)32-35(33-19(5)30-16(2)26-8,34-20(6)31-17(3)27-9)14-28-22(24)21-12-10-11-13-23-21/h10-13,15-20H,14H2,1-9H3
InChIKeyXSKRACCRAMGPFD-UHFFFAOYSA-N
MW521.64 g/mol
LogP2.83
Rot. Bonds18

About tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate

tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate (PubChem CID 69012079) has the molecular formula C22H39NO11Si and a molecular weight of 521.64 g/mol. Its IUPAC name is tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate.

Molecular Properties

Compound Nametris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate
PubChem CID69012079
Molecular FormulaC22H39NO11Si
Molecular Weight521.64 g/mol
Exact Mass521.23
IUPAC Nametris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate
SMILESCOC(C)OC(C)O[Si](COC(=O)c1ccccn1)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C22H39NO11Si/c1-15(25-7)29-18(4)32-35(33-19(5)30-16(2)26-8,34-20(6)31-17(3)27-9)14-28-22(24)21-12-10-11-13-23-21/h10-13,15-20H,14H2,1-9H3
InChIKeyXSKRACCRAMGPFD-UHFFFAOYSA-N
XLogP2.83
TPSA122.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.64
LogP ≤ 52.83
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'}

Analyze tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate
CID 68836430
ethyl pyridine-2-carboxylate
CID 17307
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
2-methylpentyl pyridine-2-carboxylate
CID 150671770
3-dimethoxysilylbutyl pyridine-2-carboxylate
CID 154185304
1-aminoethyl pyridine-2-carboxylate
CID 141264689
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
2-[tris[1-(1-methoxyethoxy)ethoxy]silyl]ethyl pyridine-4-carboxylate
CID 68834692
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride
CID 174448756
2-acetamidoethyl pyridine-2-carboxylate
CID 141131382

Frequently Asked Questions

What is the IUPAC name of tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate?
The IUPAC name of tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate (CID 69012079) is tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate.
What is the SMILES notation for tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate?
The canonical SMILES for tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate is COC(C)OC(C)O[Si](COC(=O)c1ccccn1)(OC(C)OC(C)OC)OC(C)OC(C)OC.
What is the InChIKey of tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate?
The InChIKey is XSKRACCRAMGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO11Si/c1-15(25-7)29-18(4)32-35(33-19(5)30-16(2)26-8,34-20(6)31-17(3)27-9)14-28-22(24)21-12-10-11-13-23-21/h10-13,15-20H,14H2,1-9H3.
What are the key properties of tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate?
tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate has a molecular weight of 521.64 g/mol, XLogP of 2.83, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate is sourced from PubChem (CID 69012079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).