4-tert-butyl-2-methoxy-5-methylpyridine

C11H17NO — CID 155218217

IUPAC4-tert-butyl-2-methoxy-5-methylpyridine
SMILESCOc1cc(C(C)(C)C)c(C)cn1
InChIInChI=1S/C11H17NO/c1-8-7-12-10(13-5)6-9(8)11(2,3)4/h6-7H,1-5H3
InChIKeyWXOJIVCAARLSAV-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.70
Rot. Bonds1

About 4-tert-butyl-2-methoxy-5-methylpyridine

4-tert-butyl-2-methoxy-5-methylpyridine (PubChem CID 155218217) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-5-methylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-5-methylpyridine
PubChem CID155218217
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-tert-butyl-2-methoxy-5-methylpyridine
SMILESCOc1cc(C(C)(C)C)c(C)cn1
InChIInChI=1S/C11H17NO/c1-8-7-12-10(13-5)6-9(8)11(2,3)4/h6-7H,1-5H3
InChIKeyWXOJIVCAARLSAV-UHFFFAOYSA-N
XLogP2.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.70
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-methoxy-5-methylpyridine?
The IUPAC name of 4-tert-butyl-2-methoxy-5-methylpyridine (CID 155218217) is 4-tert-butyl-2-methoxy-5-methylpyridine.
What is the SMILES notation for 4-tert-butyl-2-methoxy-5-methylpyridine?
The canonical SMILES for 4-tert-butyl-2-methoxy-5-methylpyridine is COc1cc(C(C)(C)C)c(C)cn1.
What is the InChIKey of 4-tert-butyl-2-methoxy-5-methylpyridine?
The InChIKey is WXOJIVCAARLSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-7-12-10(13-5)6-9(8)11(2,3)4/h6-7H,1-5H3.
What are the key properties of 4-tert-butyl-2-methoxy-5-methylpyridine?
4-tert-butyl-2-methoxy-5-methylpyridine has a molecular weight of 179.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-5-methylpyridine is sourced from PubChem (CID 155218217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).