1-ethenoxy-2-(3-propoxypropoxy)propane

C₁₁H₂₂O₃ — CID 154211630

About 1-ethenoxy-2-(3-propoxypropoxy)propane

1-ethenoxy-2-(3-propoxypropoxy)propane (PubChem CID 154211630) has the molecular formula C₁₁H₂₂O₃ and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-ethenoxy-2-(3-propoxypropoxy)propane.

Molecular Properties

• Compound Name: 1-ethenoxy-2-(3-propoxypropoxy)propane
• PubChem CID: 154211630
• Molecular Formula: C₁₁H₂₂O₃
• Molecular Weight: 202.29 g/mol
• Exact Mass: 202.16
• IUPAC Name: 1-ethenoxy-2-(3-propoxypropoxy)propane
• SMILES: C=COCC(C)OCCCOCCC
• InChI: InChI=1S/C11H22O3/c1-4-7-13-8-6-9-14-11(3)10-12-5-2/h5,11H,2,4,6-10H2,1,3H3
• InChIKey: UCWBEUUWOMBETI-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.29
LogP ≤ 5	2.37
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-2-(3-propoxypropoxy)propane?

The IUPAC name of 1-ethenoxy-2-(3-propoxypropoxy)propane (CID 154211630) is 1-ethenoxy-2-(3-propoxypropoxy)propane.

What is the SMILES notation for 1-ethenoxy-2-(3-propoxypropoxy)propane?

The canonical SMILES for 1-ethenoxy-2-(3-propoxypropoxy)propane is C=COCC(C)OCCCOCCC.

What is the InChIKey of 1-ethenoxy-2-(3-propoxypropoxy)propane?

The InChIKey is UCWBEUUWOMBETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-7-13-8-6-9-14-11(3)10-12-5-2/h5,11H,2,4,6-10H2,1,3H3.

What are the key properties of 1-ethenoxy-2-(3-propoxypropoxy)propane?

1-ethenoxy-2-(3-propoxypropoxy)propane has a molecular weight of 202.29 g/mol, XLogP of 2.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenoxy-2-(3-propoxypropoxy)propane is sourced from PubChem (CID 154211630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154211630 — identifiers, structure, computed properties (public domain)

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