2-(2-ethoxyethyl)oxane

C₉H₁₈O₂ — CID 69343874

About 2-(2-ethoxyethyl)oxane

2-(2-ethoxyethyl)oxane (PubChem CID 69343874) has the molecular formula C₉H₁₈O₂ and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)oxane.

Molecular Properties

• Compound Name: 2-(2-ethoxyethyl)oxane
• PubChem CID: 69343874
• Molecular Formula: C₉H₁₈O₂
• Molecular Weight: 158.24 g/mol
• Exact Mass: 158.13
• IUPAC Name: 2-(2-ethoxyethyl)oxane
• SMILES: CCOCCC1CCCCO1
• InChI: InChI=1S/C9H18O2/c1-2-10-8-6-9-5-3-4-7-11-9/h9H,2-8H2,1H3
• InChIKey: HWEZKRCCOSMRCU-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.24
LogP ≤ 5	1.98
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 2-(2-ethoxyethyl)oxane?

The IUPAC name of 2-(2-ethoxyethyl)oxane (CID 69343874) is 2-(2-ethoxyethyl)oxane.

What is the SMILES notation for 2-(2-ethoxyethyl)oxane?

The canonical SMILES for 2-(2-ethoxyethyl)oxane is CCOCCC1CCCCO1.

What is the InChIKey of 2-(2-ethoxyethyl)oxane?

The InChIKey is HWEZKRCCOSMRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-10-8-6-9-5-3-4-7-11-9/h9H,2-8H2,1H3.

What are the key properties of 2-(2-ethoxyethyl)oxane?

2-(2-ethoxyethyl)oxane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethoxyethyl)oxane is sourced from PubChem (CID 69343874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 69343874 — identifiers, structure, computed properties (public domain)

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