6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine

C11H17NO3 — CID 91192685

IUPAC6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine
SMILESCCOc1cc(C)c(OCOC)c(C)n1
InChIInChI=1S/C11H17NO3/c1-5-14-10-6-8(2)11(9(3)12-10)15-7-13-4/h6H,5,7H2,1-4H3
InChIKeyLJUPXIOMZHINJM-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.08
Rot. Bonds5

About 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine

6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine (PubChem CID 91192685) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine.

Molecular Properties

Compound Name6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine
PubChem CID91192685
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine
SMILESCCOc1cc(C)c(OCOC)c(C)n1
InChIInChI=1S/C11H17NO3/c1-5-14-10-6-8(2)11(9(3)12-10)15-7-13-4/h6H,5,7H2,1-4H3
InChIKeyLJUPXIOMZHINJM-UHFFFAOYSA-N
XLogP2.08
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine?
The IUPAC name of 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine (CID 91192685) is 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine.
What is the SMILES notation for 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine?
The canonical SMILES for 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine is CCOc1cc(C)c(OCOC)c(C)n1.
What is the InChIKey of 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine?
The InChIKey is LJUPXIOMZHINJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-14-10-6-8(2)11(9(3)12-10)15-7-13-4/h6H,5,7H2,1-4H3.
What are the key properties of 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine?
6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine has a molecular weight of 211.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine is sourced from PubChem (CID 91192685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).