tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate

C23H39NO11 — CID 69399075

IUPACtris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate
SMILESCOCCOCCOC(OCCOCCOC)(OCCOCCOC)OC(=O)Cc1ccccn1
InChIInChI=1S/C23H39NO11/c1-26-8-11-29-14-17-32-23(33-18-15-30-12-9-27-2,34-19-16-31-13-10-28-3)35-22(25)20-21-6-4-5-7-24-21/h4-7H,8-20H2,1-3H3
InChIKeyHEPFSGJYPGJOLP-UHFFFAOYSA-N
MW505.56 g/mol
LogP0.82
Rot. Bonds24

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

tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate (PubChem CID 69399075) has the molecular formula C23H39NO11 and a molecular weight of 505.56 g/mol. Its IUPAC name is tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate.

Molecular Properties

Compound Nametris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate
PubChem CID69399075
Molecular FormulaC23H39NO11
Molecular Weight505.56 g/mol
Exact Mass505.25
IUPAC Nametris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate
SMILESCOCCOCCOC(OCCOCCOC)(OCCOCCOC)OC(=O)Cc1ccccn1
InChIInChI=1S/C23H39NO11/c1-26-8-11-29-14-17-32-23(33-18-15-30-12-9-27-2,34-19-16-31-13-10-28-3)35-22(25)20-21-6-4-5-7-24-21/h4-7H,8-20H2,1-3H3
InChIKeyHEPFSGJYPGJOLP-UHFFFAOYSA-N
XLogP0.82
TPSA122.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
CID 90113041
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
(2-pyridin-2-ylacetyl) 2-pyridin-2-ylacetate;1H-pyrrole
CID 174963764
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
(3S)-3-hydroxy-3,4-dimethyl-1-pyridin-2-ylpentan-2-one
CID 125490825
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
(2-methyl-1-pyridin-2-ylpropan-2-yl) 3-oxobutanoate
CID 174998707
S-pyridin-2-yl 3-(2-methoxyethoxy)propanethioate
CID 59992616
triethoxysilylmethyl 2-pyridin-2-ylacetate
CID 68838862

Frequently Asked Questions

What is the IUPAC name of tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate?
The IUPAC name of tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate (CID 69399075) is tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate.
What is the SMILES notation for tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate?
The canonical SMILES for tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate is COCCOCCOC(OCCOCCOC)(OCCOCCOC)OC(=O)Cc1ccccn1.
What is the InChIKey of tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate?
The InChIKey is HEPFSGJYPGJOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO11/c1-26-8-11-29-14-17-32-23(33-18-15-30-12-9-27-2,34-19-16-31-13-10-28-3)35-22(25)20-21-6-4-5-7-24-21/h4-7H,8-20H2,1-3H3.
What are the key properties of tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate?
tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate has a molecular weight of 505.56 g/mol, XLogP of 0.82, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate is sourced from PubChem (CID 69399075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).