1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene

C₂₆H₂₆O₂ — CID 22974646

About 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene

1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene (PubChem CID 22974646) has the molecular formula C₂₆H₂₆O₂ and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene.

Molecular Properties

• Compound Name: 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene
• PubChem CID: 22974646
• Molecular Formula: C₂₆H₂₆O₂
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.19
• IUPAC Name: 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene
• SMILES: CCC(C)OCCOc1ccc(-c2cccc3ccccc23)c2ccccc12
• InChI: InChI=1S/C26H26O2/c1-3-19(2)27-17-18-28-26-16-15-24(23-12-6-7-13-25(23)26)22-14-8-10-20-9-4-5-11-21(20)22/h4-16,19H,3,17-18H2,1-2H3
• InChIKey: OAQGDIPFTKDJAV-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.49
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene?

The IUPAC name of 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene (CID 22974646) is 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene.

What is the SMILES notation for 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene?

The canonical SMILES for 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene is CCC(C)OCCOc1ccc(-c2cccc3ccccc23)c2ccccc12.

What is the InChIKey of 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene?

The InChIKey is OAQGDIPFTKDJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O2/c1-3-19(2)27-17-18-28-26-16-15-24(23-12-6-7-13-25(23)26)22-14-8-10-20-9-4-5-11-21(20)22/h4-16,19H,3,17-18H2,1-2H3.

What are the key properties of 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene?

1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene has a molecular weight of 370.49 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene is sourced from PubChem (CID 22974646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22974646 — identifiers, structure, computed properties (public domain)

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