triethoxysilylmethyl 2-pyridin-2-ylacetate

C14H23NO5Si — CID 68838862

IUPACtriethoxysilylmethyl 2-pyridin-2-ylacetate
SMILESCCO[Si](COC(=O)Cc1ccccn1)(OCC)OCC
InChIInChI=1S/C14H23NO5Si/c1-4-18-21(19-5-2,20-6-3)12-17-14(16)11-13-9-7-8-10-15-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyNOTQBNULQSCFBH-UHFFFAOYSA-N
MW313.43 g/mol
LogP1.75
Rot. Bonds10

About triethoxysilylmethyl 2-pyridin-2-ylacetate

triethoxysilylmethyl 2-pyridin-2-ylacetate (PubChem CID 68838862) has the molecular formula C14H23NO5Si and a molecular weight of 313.43 g/mol. Its IUPAC name is triethoxysilylmethyl 2-pyridin-2-ylacetate.

Molecular Properties

Compound Nametriethoxysilylmethyl 2-pyridin-2-ylacetate
PubChem CID68838862
Molecular FormulaC14H23NO5Si
Molecular Weight313.43 g/mol
Exact Mass313.13
IUPAC Nametriethoxysilylmethyl 2-pyridin-2-ylacetate
SMILESCCO[Si](COC(=O)Cc1ccccn1)(OCC)OCC
InChIInChI=1S/C14H23NO5Si/c1-4-18-21(19-5-2,20-6-3)12-17-14(16)11-13-9-7-8-10-15-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyNOTQBNULQSCFBH-UHFFFAOYSA-N
XLogP1.75
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.75
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

tris[1-(1-methoxyethoxy)ethoxy]silylmethyl 2-pyridin-2-ylacetate
CID 68836430
triethoxysilylmethyl 2-pyridin-4-ylacetate
CID 68836819
[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
CID 90113041
ethyl acetate;2-pyridin-2-ylacetic acid
CID 70044808
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
(2-pyridin-2-ylacetyl) 2-pyridin-2-ylacetate;1H-pyrrole
CID 174963764
1-diethoxysilylethyl 2-pyridin-2-ylacetate
CID 154185532
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737

Frequently Asked Questions

What is the IUPAC name of triethoxysilylmethyl 2-pyridin-2-ylacetate?
The IUPAC name of triethoxysilylmethyl 2-pyridin-2-ylacetate (CID 68838862) is triethoxysilylmethyl 2-pyridin-2-ylacetate.
What is the SMILES notation for triethoxysilylmethyl 2-pyridin-2-ylacetate?
The canonical SMILES for triethoxysilylmethyl 2-pyridin-2-ylacetate is CCO[Si](COC(=O)Cc1ccccn1)(OCC)OCC.
What is the InChIKey of triethoxysilylmethyl 2-pyridin-2-ylacetate?
The InChIKey is NOTQBNULQSCFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5Si/c1-4-18-21(19-5-2,20-6-3)12-17-14(16)11-13-9-7-8-10-15-13/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of triethoxysilylmethyl 2-pyridin-2-ylacetate?
triethoxysilylmethyl 2-pyridin-2-ylacetate has a molecular weight of 313.43 g/mol, XLogP of 1.75, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxysilylmethyl 2-pyridin-2-ylacetate is sourced from PubChem (CID 68838862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).