3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane

C₁₄H₂₄O₄ — CID 155071976

About 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane

3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane (PubChem CID 155071976) has the molecular formula C₁₄H₂₄O₄ and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane.

Molecular Properties

• Compound Name: 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane
• PubChem CID: 155071976
• Molecular Formula: C₁₄H₂₄O₄
• Molecular Weight: 256.34 g/mol
• Exact Mass: 256.17
• IUPAC Name: 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane
• SMILES: C=COC(C)(C)COC1COCC(C)(OC=C)C1
• InChI: InChI=1S/C14H24O4/c1-6-17-13(3,4)10-16-12-8-14(5,18-7-2)11-15-9-12/h6-7,12H,1-2,8-11H2,3-5H3
• InChIKey: PGUYJSSNOVSTNY-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.34
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane?

The IUPAC name of 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane (CID 155071976) is 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane.

What is the SMILES notation for 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane?

The canonical SMILES for 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane is C=COC(C)(C)COC1COCC(C)(OC=C)C1.

What is the InChIKey of 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane?

The InChIKey is PGUYJSSNOVSTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-17-13(3,4)10-16-12-8-14(5,18-7-2)11-15-9-12/h6-7,12H,1-2,8-11H2,3-5H3.

What are the key properties of 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane?

3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane has a molecular weight of 256.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane is sourced from PubChem (CID 155071976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155071976 — identifiers, structure, computed properties (public domain)

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