[6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate

C19H25NO4Si — CID 10713502

IUPAC[6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate
SMILESC[Si](C)(C)CCOCOCc1cccc(OC(=O)c2ccccc2)n1
InChIInChI=1S/C19H25NO4Si/c1-25(2,3)13-12-22-15-23-14-17-10-7-11-18(20-17)24-19(21)16-8-5-4-6-9-16/h4-11H,12-15H2,1-3H3
InChIKeyOXCITTMGQDEGRU-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.13
Rot. Bonds9

About [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate

[6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate (PubChem CID 10713502) has the molecular formula C19H25NO4Si and a molecular weight of 359.50 g/mol. Its IUPAC name is [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate.

Molecular Properties

Compound Name[6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate
PubChem CID10713502
Molecular FormulaC19H25NO4Si
Molecular Weight359.50 g/mol
Exact Mass359.16
IUPAC Name[6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate
SMILESC[Si](C)(C)CCOCOCc1cccc(OC(=O)c2ccccc2)n1
InChIInChI=1S/C19H25NO4Si/c1-25(2,3)13-12-22-15-23-14-17-10-7-11-18(20-17)24-19(21)16-8-5-4-6-9-16/h4-11H,12-15H2,1-3H3
InChIKeyOXCITTMGQDEGRU-UHFFFAOYSA-N
XLogP4.13
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 131747491
phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid
CID 141056027
2-methoxyethoxymethyl benzoate
CID 11275823
2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
CID 20509689
1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 63984310
2-ethyl-6-phenoxypyridine
CID 19828151
1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone
CID 15783757
[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
CID 165352260
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095

Frequently Asked Questions

What is the IUPAC name of [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate?
The IUPAC name of [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate (CID 10713502) is [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate.
What is the SMILES notation for [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate?
The canonical SMILES for [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate is C[Si](C)(C)CCOCOCc1cccc(OC(=O)c2ccccc2)n1.
What is the InChIKey of [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate?
The InChIKey is OXCITTMGQDEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4Si/c1-25(2,3)13-12-22-15-23-14-17-10-7-11-18(20-17)24-19(21)16-8-5-4-6-9-16/h4-11H,12-15H2,1-3H3.
What are the key properties of [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate?
[6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate has a molecular weight of 359.50 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-trimethylsilylethoxymethoxymethyl)-2-pyridinyl] benzoate is sourced from PubChem (CID 10713502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).