6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid

C13H25NO3Si — CID 67617252

IUPAC6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)C1C=C(O[Si](C)(C)C)CCN1C(=O)O
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)11-9-10(17-18(4,5)6)7-8-14(11)12(15)16/h9,11H,7-8H2,1-6H3,(H,15,16)
InChIKeySEYBRURPYFQVOH-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.52
Rot. Bonds2

About 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid

6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 67617252) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID67617252
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)C1C=C(O[Si](C)(C)C)CCN1C(=O)O
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)11-9-10(17-18(4,5)6)7-8-14(11)12(15)16/h9,11H,7-8H2,1-6H3,(H,15,16)
InChIKeySEYBRURPYFQVOH-UHFFFAOYSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.52
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 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 67617252) is 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC(C)(C)C1C=C(O[Si](C)(C)C)CCN1C(=O)O.
What is the InChIKey of 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is SEYBRURPYFQVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-13(2,3)11-9-10(17-18(4,5)6)7-8-14(11)12(15)16/h9,11H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 271.43 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 67617252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).