[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate

C16H18N2O4Si — CID 90113041

IUPAC[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
SMILESC[Si](C)(OC(=O)Cc1ccccn1)OC(=O)Cc1ccccn1
InChIInChI=1S/C16H18N2O4Si/c1-23(2,21-15(19)11-13-7-3-5-9-17-13)22-16(20)12-14-8-4-6-10-18-14/h3-10H,11-12H2,1-2H3
InChIKeyBJKBAWMEMDUTHL-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.05
Rot. Bonds6

About [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate

[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate (PubChem CID 90113041) has the molecular formula C16H18N2O4Si and a molecular weight of 330.42 g/mol. Its IUPAC name is [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate.

Molecular Properties

Compound Name[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
PubChem CID90113041
Molecular FormulaC16H18N2O4Si
Molecular Weight330.42 g/mol
Exact Mass330.10
IUPAC Name[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
SMILESC[Si](C)(OC(=O)Cc1ccccn1)OC(=O)Cc1ccccn1
InChIInChI=1S/C16H18N2O4Si/c1-23(2,21-15(19)11-13-7-3-5-9-17-13)22-16(20)12-14-8-4-6-10-18-14/h3-10H,11-12H2,1-2H3
InChIKeyBJKBAWMEMDUTHL-UHFFFAOYSA-N
XLogP2.05
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-pyridin-2-ylacetyl) 2-pyridin-2-ylacetate;1H-pyrrole
CID 174963764
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
triethoxysilylmethyl 2-pyridin-2-ylacetate
CID 68838862
CID 131857449
CID 131857449
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
tris[2-(2-methoxyethoxy)ethoxy]methyl 2-pyridin-2-ylacetate
CID 69399075
(2-methylcyclohexyl) 2-pyridin-2-ylacetate
CID 15055566
1-diethoxysilylethyl 2-pyridin-2-ylacetate
CID 154185532
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
2-(2-methylprop-2-enyl)pyridine
CID 12534227
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377

Frequently Asked Questions

What is the IUPAC name of [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate?
The IUPAC name of [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate (CID 90113041) is [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate.
What is the SMILES notation for [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate?
The canonical SMILES for [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate is C[Si](C)(OC(=O)Cc1ccccn1)OC(=O)Cc1ccccn1.
What is the InChIKey of [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate?
The InChIKey is BJKBAWMEMDUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4Si/c1-23(2,21-15(19)11-13-7-3-5-9-17-13)22-16(20)12-14-8-4-6-10-18-14/h3-10H,11-12H2,1-2H3.
What are the key properties of [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate?
[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate has a molecular weight of 330.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate is sourced from PubChem (CID 90113041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).