5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine

C25H37NO5 — CID 138657106

About 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine

5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine (PubChem CID 138657106) has the molecular formula C25H37NO5 and a molecular weight of 431.57 g/mol. Its IUPAC name is 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine.

Molecular Properties

• Compound Name: 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine
• PubChem CID: 138657106
• Molecular Formula: C25H37NO5
• Molecular Weight: 431.57 g/mol
• Exact Mass: 431.27
• IUPAC Name: 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine
• SMILES: CC(C)(C)OCCOC1(OCC#Cc2ccc(OC3CC(OC(C)(C)C)C3)cn2)CC1
• InChI: InChI=1S/C25H37NO5/c1-23(2,3)27-14-15-29-25(11-12-25)28-13-7-8-19-9-10-20(18-26-19)30-21-16-22(17-21)31-24(4,5)6/h9-10,18,21-22H,11-17H2,1-6H3
• InChIKey: NSOBGEMIQVQOEM-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.57
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine?

The IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine (CID 138657106) is 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine.

What is the SMILES notation for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine?

The canonical SMILES for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine is CC(C)(C)OCCOC1(OCC#Cc2ccc(OC3CC(OC(C)(C)C)C3)cn2)CC1.

What is the InChIKey of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine?

The InChIKey is NSOBGEMIQVQOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO5/c1-23(2,3)27-14-15-29-25(11-12-25)28-13-7-8-19-9-10-20(18-26-19)30-21-16-22(17-21)31-24(4,5)6/h9-10,18,21-22H,11-17H2,1-6H3.

What are the key properties of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine?

5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine has a molecular weight of 431.57 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine is sourced from PubChem (CID 138657106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).