tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate

C23H41NO11Si — CID 68836430

IUPACtris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate
SMILESCOC(C)OC(C)O[Si](COC(=O)Cc1ccccn1)(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)15-29-23(25)14-22-12-10-11-13-24-22/h10-13,16-21H,14-15H2,1-9H3
InChIKeyQAAFRYGERIUORL-UHFFFAOYSA-N
MW535.66 g/mol
LogP2.76
Rot. Bonds19

About tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate

tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate (PubChem CID 68836430) has the molecular formula C23H41NO11Si and a molecular weight of 535.66 g/mol. Its IUPAC name is tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate.

Molecular Properties

Compound Nametris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate
PubChem CID68836430
Molecular FormulaC23H41NO11Si
Molecular Weight535.66 g/mol
Exact Mass535.24
IUPAC Nametris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate
SMILESCOC(C)OC(C)O[Si](COC(=O)Cc1ccccn1)(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)15-29-23(25)14-22-12-10-11-13-24-22/h10-13,16-21H,14-15H2,1-9H3
InChIKeyQAAFRYGERIUORL-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate?
The IUPAC name of tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate (CID 68836430) is tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate.
What is the SMILES notation for tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate?
The canonical SMILES for tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate is COC(C)OC(C)O[Si](COC(=O)Cc1ccccn1)(OC(C)OC(C)OC)OC(C)OC(C)OC.
What is the InChIKey of tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate?
The InChIKey is QAAFRYGERIUORL-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)15-29-23(25)14-22-12-10-11-13-24-22/h10-13,16-21H,14-15H2,1-9H3.
What are the key properties of tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate?
tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate has a molecular weight of 535.66 g/mol, XLogP of 2.76, 19 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 2-pyridin-2-ylacetate is sourced from PubChem (CID 68836430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).