1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone

C13H19NO3 — CID 112587862

IUPAC1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCCOC(C)(C)C)cn1
InChIInChI=1S/C13H19NO3/c1-10(15)12-6-5-11(9-14-12)16-7-8-17-13(2,3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyTZSIDZVGBZEDDE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.48
Rot. Bonds5

About 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone

1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone (PubChem CID 112587862) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
PubChem CID112587862
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCCOC(C)(C)C)cn1
InChIInChI=1S/C13H19NO3/c1-10(15)12-6-5-11(9-14-12)16-7-8-17-13(2,3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyTZSIDZVGBZEDDE-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466
2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112592625
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
1-(5-but-3-ynoxy-2-pyridinyl)ethanone
CID 106795026
1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
CID 106202175
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-one
CID 112687937

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone (CID 112587862) is 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone is CC(=O)c1ccc(OCCOC(C)(C)C)cn1.
What is the InChIKey of 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone?
The InChIKey is TZSIDZVGBZEDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)12-6-5-11(9-14-12)16-7-8-17-13(2,3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone?
1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 112587862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).