1-diethoxysilylethyl 2-pyridin-2-ylacetate

C13H21NO4Si — CID 154185532

IUPAC1-diethoxysilylethyl 2-pyridin-2-ylacetate
SMILESCCO[SiH](OCC)C(C)OC(=O)Cc1ccccn1
InChIInChI=1S/C13H21NO4Si/c1-4-16-19(17-5-2)11(3)18-13(15)10-12-8-6-7-9-14-12/h6-9,11,19H,4-5,10H2,1-3H3
InChIKeyHYYIXNZTAKUHHW-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.39
Rot. Bonds8

About 1-diethoxysilylethyl 2-pyridin-2-ylacetate

1-diethoxysilylethyl 2-pyridin-2-ylacetate (PubChem CID 154185532) has the molecular formula C13H21NO4Si and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-diethoxysilylethyl 2-pyridin-2-ylacetate.

Molecular Properties

Compound Name1-diethoxysilylethyl 2-pyridin-2-ylacetate
PubChem CID154185532
Molecular FormulaC13H21NO4Si
Molecular Weight283.40 g/mol
Exact Mass283.12
IUPAC Name1-diethoxysilylethyl 2-pyridin-2-ylacetate
SMILESCCO[SiH](OCC)C(C)OC(=O)Cc1ccccn1
InChIInChI=1S/C13H21NO4Si/c1-4-16-19(17-5-2)11(3)18-13(15)10-12-8-6-7-9-14-12/h6-9,11,19H,4-5,10H2,1-3H3
InChIKeyHYYIXNZTAKUHHW-UHFFFAOYSA-N
XLogP1.39
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
CID 90113041
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
triethoxysilylmethyl 2-pyridin-2-ylacetate
CID 68838862
(2-pyridin-2-ylacetyl) 2-pyridin-2-ylacetate;1H-pyrrole
CID 174963764
ethyl acetate;2-pyridin-2-ylacetic acid
CID 70044808
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
3-ethoxy-1-pyridin-2-ylhexan-2-one
CID 116707835
tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate
CID 68836430
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
(3S)-3-hydroxy-3,4-dimethyl-1-pyridin-2-ylpentan-2-one
CID 125490825
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990

Frequently Asked Questions

What is the IUPAC name of 1-diethoxysilylethyl 2-pyridin-2-ylacetate?
The IUPAC name of 1-diethoxysilylethyl 2-pyridin-2-ylacetate (CID 154185532) is 1-diethoxysilylethyl 2-pyridin-2-ylacetate.
What is the SMILES notation for 1-diethoxysilylethyl 2-pyridin-2-ylacetate?
The canonical SMILES for 1-diethoxysilylethyl 2-pyridin-2-ylacetate is CCO[SiH](OCC)C(C)OC(=O)Cc1ccccn1.
What is the InChIKey of 1-diethoxysilylethyl 2-pyridin-2-ylacetate?
The InChIKey is HYYIXNZTAKUHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4Si/c1-4-16-19(17-5-2)11(3)18-13(15)10-12-8-6-7-9-14-12/h6-9,11,19H,4-5,10H2,1-3H3.
What are the key properties of 1-diethoxysilylethyl 2-pyridin-2-ylacetate?
1-diethoxysilylethyl 2-pyridin-2-ylacetate has a molecular weight of 283.40 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxysilylethyl 2-pyridin-2-ylacetate is sourced from PubChem (CID 154185532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).