1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane

C₁₂H₂₂O₃ — CID 155312790

About 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane

1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane (PubChem CID 155312790) has the molecular formula C₁₂H₂₂O₃ and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane.

Molecular Properties

• Compound Name: 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane
• PubChem CID: 155312790
• Molecular Formula: C₁₂H₂₂O₃
• Molecular Weight: 214.30 g/mol
• Exact Mass: 214.16
• IUPAC Name: 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane
• SMILES: C=COCCC(C)(C)OCC(C)OC=C
• InChI: InChI=1S/C12H22O3/c1-6-13-9-8-12(4,5)15-10-11(3)14-7-2/h6-7,11H,1-2,8-10H2,3-5H3
• InChIKey: HFSAZDIDPPVSIC-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.30
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane?

The IUPAC name of 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane (CID 155312790) is 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane.

What is the SMILES notation for 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane?

The canonical SMILES for 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane is C=COCCC(C)(C)OCC(C)OC=C.

What is the InChIKey of 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane?

The InChIKey is HFSAZDIDPPVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-6-13-9-8-12(4,5)15-10-11(3)14-7-2/h6-7,11H,1-2,8-10H2,3-5H3.

What are the key properties of 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane?

1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane has a molecular weight of 214.30 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane is sourced from PubChem (CID 155312790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155312790 — identifiers, structure, computed properties (public domain)

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