4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid

C20H27NO4Si — CID 141411905

IUPAC4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid
SMILESCC(C)(C)[Si](C)(C)OCCn1ccc(-c2ccc(C(=O)O)cc2)cc1=O
InChIInChI=1S/C20H27NO4Si/c1-20(2,3)26(4,5)25-13-12-21-11-10-17(14-18(21)22)15-6-8-16(9-7-15)19(23)24/h6-11,14H,12-13H2,1-5H3,(H,23,24)
InChIKeyNUUFUKIFGQMVOG-UHFFFAOYSA-N
MW373.53 g/mol
LogP4.24
Rot. Bonds6

About 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid

4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid (PubChem CID 141411905) has the molecular formula C20H27NO4Si and a molecular weight of 373.53 g/mol. Its IUPAC name is 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid
PubChem CID141411905
Molecular FormulaC20H27NO4Si
Molecular Weight373.53 g/mol
Exact Mass373.17
IUPAC Name4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid
SMILESCC(C)(C)[Si](C)(C)OCCn1ccc(-c2ccc(C(=O)O)cc2)cc1=O
InChIInChI=1S/C20H27NO4Si/c1-20(2,3)26(4,5)25-13-12-21-11-10-17(14-18(21)22)15-6-8-16(9-7-15)19(23)24/h6-11,14H,12-13H2,1-5H3,(H,23,24)
InChIKeyNUUFUKIFGQMVOG-UHFFFAOYSA-N
XLogP4.24
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid?
The IUPAC name of 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid (CID 141411905) is 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid?
The canonical SMILES for 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid is CC(C)(C)[Si](C)(C)OCCn1ccc(-c2ccc(C(=O)O)cc2)cc1=O.
What is the InChIKey of 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid?
The InChIKey is NUUFUKIFGQMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4Si/c1-20(2,3)26(4,5)25-13-12-21-11-10-17(14-18(21)22)15-6-8-16(9-7-15)19(23)24/h6-11,14H,12-13H2,1-5H3,(H,23,24).
What are the key properties of 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid?
4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid has a molecular weight of 373.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid is sourced from PubChem (CID 141411905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).