2,4-ditert-butyl-6-ethoxypyridine

C15H25NO — CID 176622096

IUPAC2,4-ditert-butyl-6-ethoxypyridine
SMILESCCOc1cc(C(C)(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C15H25NO/c1-8-17-13-10-11(14(2,3)4)9-12(16-13)15(5,6)7/h9-10H,8H2,1-7H3
InChIKeySHGIBFPEAXOQSH-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.08
Rot. Bonds2

About 2,4-ditert-butyl-6-ethoxypyridine

2,4-ditert-butyl-6-ethoxypyridine (PubChem CID 176622096) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-ethoxypyridine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-ethoxypyridine
PubChem CID176622096
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,4-ditert-butyl-6-ethoxypyridine
SMILESCCOc1cc(C(C)(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C15H25NO/c1-8-17-13-10-11(14(2,3)4)9-12(16-13)15(5,6)7/h9-10H,8H2,1-7H3
InChIKeySHGIBFPEAXOQSH-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-ethoxypyridine?
The IUPAC name of 2,4-ditert-butyl-6-ethoxypyridine (CID 176622096) is 2,4-ditert-butyl-6-ethoxypyridine.
What is the SMILES notation for 2,4-ditert-butyl-6-ethoxypyridine?
The canonical SMILES for 2,4-ditert-butyl-6-ethoxypyridine is CCOc1cc(C(C)(C)C)cc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-ethoxypyridine?
The InChIKey is SHGIBFPEAXOQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-8-17-13-10-11(14(2,3)4)9-12(16-13)15(5,6)7/h9-10H,8H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-ethoxypyridine?
2,4-ditert-butyl-6-ethoxypyridine has a molecular weight of 235.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-ethoxypyridine is sourced from PubChem (CID 176622096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).