4-(ethoxymethyl)-4-methyloxane

C₉H₁₈O₂ — CID 123488468

About 4-(ethoxymethyl)-4-methyloxane

4-(ethoxymethyl)-4-methyloxane (PubChem CID 123488468) has the molecular formula C₉H₁₈O₂ and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(ethoxymethyl)-4-methyloxane.

Molecular Properties

• Compound Name: 4-(ethoxymethyl)-4-methyloxane
• PubChem CID: 123488468
• Molecular Formula: C₉H₁₈O₂
• Molecular Weight: 158.24 g/mol
• Exact Mass: 158.13
• IUPAC Name: 4-(ethoxymethyl)-4-methyloxane
• SMILES: CCOCC1(C)CCOCC1
• InChI: InChI=1S/C9H18O2/c1-3-10-8-9(2)4-6-11-7-5-9/h3-8H2,1-2H3
• InChIKey: XMKJXJBYCIPGIZ-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.24
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-4-methyloxane?

The IUPAC name of 4-(ethoxymethyl)-4-methyloxane (CID 123488468) is 4-(ethoxymethyl)-4-methyloxane.

What is the SMILES notation for 4-(ethoxymethyl)-4-methyloxane?

The canonical SMILES for 4-(ethoxymethyl)-4-methyloxane is CCOCC1(C)CCOCC1.

What is the InChIKey of 4-(ethoxymethyl)-4-methyloxane?

The InChIKey is XMKJXJBYCIPGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-10-8-9(2)4-6-11-7-5-9/h3-8H2,1-2H3.

What are the key properties of 4-(ethoxymethyl)-4-methyloxane?

4-(ethoxymethyl)-4-methyloxane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(ethoxymethyl)-4-methyloxane is sourced from PubChem (CID 123488468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123488468 — identifiers, structure, computed properties (public domain)

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