4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid

C12H23NO3Si — CID 91263931

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1=CCN(C(=O)O)CC1
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-10-6-8-13(9-7-10)11(14)15/h6H,7-9H2,1-5H3,(H,14,15)
InChIKeyCRCLFHDZLYXOBL-UHFFFAOYSA-N
MW257.41 g/mol
LogP3.28
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 91263931) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID91263931
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1=CCN(C(=O)O)CC1
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-10-6-8-13(9-7-10)11(14)15/h6H,7-9H2,1-5H3,(H,14,15)
InChIKeyCRCLFHDZLYXOBL-UHFFFAOYSA-N
XLogP3.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 91263931) is 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is CRCLFHDZLYXOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-10-6-8-13(9-7-10)11(14)15/h6H,7-9H2,1-5H3,(H,14,15).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 257.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 91263931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).