4-tert-butyl-2-ethoxy-3-methylpyridine

C12H19NO — CID 58837611

IUPAC4-tert-butyl-2-ethoxy-3-methylpyridine
SMILESCCOc1nccc(C(C)(C)C)c1C
InChIInChI=1S/C12H19NO/c1-6-14-11-9(2)10(7-8-13-11)12(3,4)5/h7-8H,6H2,1-5H3
InChIKeyBDQGIOHURHMQEF-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.09
Rot. Bonds2

About 4-tert-butyl-2-ethoxy-3-methylpyridine

4-tert-butyl-2-ethoxy-3-methylpyridine (PubChem CID 58837611) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-tert-butyl-2-ethoxy-3-methylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-ethoxy-3-methylpyridine
PubChem CID58837611
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-tert-butyl-2-ethoxy-3-methylpyridine
SMILESCCOc1nccc(C(C)(C)C)c1C
InChIInChI=1S/C12H19NO/c1-6-14-11-9(2)10(7-8-13-11)12(3,4)5/h7-8H,6H2,1-5H3
InChIKeyBDQGIOHURHMQEF-UHFFFAOYSA-N
XLogP3.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethoxy-3-methylpyridine?
The IUPAC name of 4-tert-butyl-2-ethoxy-3-methylpyridine (CID 58837611) is 4-tert-butyl-2-ethoxy-3-methylpyridine.
What is the SMILES notation for 4-tert-butyl-2-ethoxy-3-methylpyridine?
The canonical SMILES for 4-tert-butyl-2-ethoxy-3-methylpyridine is CCOc1nccc(C(C)(C)C)c1C.
What is the InChIKey of 4-tert-butyl-2-ethoxy-3-methylpyridine?
The InChIKey is BDQGIOHURHMQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-6-14-11-9(2)10(7-8-13-11)12(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-2-ethoxy-3-methylpyridine?
4-tert-butyl-2-ethoxy-3-methylpyridine has a molecular weight of 193.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethoxy-3-methylpyridine is sourced from PubChem (CID 58837611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).