2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine

C24H37NO4 — CID 134488912

About 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine

2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine (PubChem CID 134488912) has the molecular formula C24H37NO4 and a molecular weight of 403.56 g/mol. Its IUPAC name is 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine.

Molecular Properties

• Compound Name: 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
• PubChem CID: 134488912
• Molecular Formula: C24H37NO4
• Molecular Weight: 403.56 g/mol
• Exact Mass: 403.27
• IUPAC Name: 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
• SMILES: CC(C)(C)OCCOC(C)(C)C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1
• InChI: InChI=1S/C24H37NO4/c1-22(2,3)26-13-14-27-24(7,8)12-11-18-9-10-19(17-25-18)28-20-15-21(16-20)29-23(4,5)6/h9-10,17,20-21H,13-16H2,1-8H3
• InChIKey: KDCCTNVAIXYVLF-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 49.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.56
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine?

The IUPAC name of 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine (CID 134488912) is 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine.

What is the SMILES notation for 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine?

The canonical SMILES for 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine is CC(C)(C)OCCOC(C)(C)C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.

What is the InChIKey of 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine?

The InChIKey is KDCCTNVAIXYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO4/c1-22(2,3)26-13-14-27-24(7,8)12-11-18-9-10-19(17-25-18)28-20-15-21(16-20)29-23(4,5)6/h9-10,17,20-21H,13-16H2,1-8H3.

What are the key properties of 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine?

2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine has a molecular weight of 403.56 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine is sourced from PubChem (CID 134488912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).