ethenyl 2-(2-methoxyethoxy)acetate

C7H12O4 — CID 22382804

About ethenyl 2-(2-methoxyethoxy)acetate

ethenyl 2-(2-methoxyethoxy)acetate (PubChem CID 22382804) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethenyl 2-(2-methoxyethoxy)acetate.

Molecular Properties

• Compound Name: ethenyl 2-(2-methoxyethoxy)acetate
• PubChem CID: 22382804
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17 g/mol
• Exact Mass: 160.07
• IUPAC Name: ethenyl 2-(2-methoxyethoxy)acetate
• SMILES: C=COC(=O)COCCOC
• InChI: InChI=1S/C7H12O4/c1-3-11-7(8)6-10-5-4-9-2/h3H,1,4-6H2,2H3
• InChIKey: ZSRVBTYCSVQSEA-UHFFFAOYSA-N
• XLogP: 0.34
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	160.17
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 ethenyl 2-(2-methoxyethoxy)acetate?

The IUPAC name of ethenyl 2-(2-methoxyethoxy)acetate (CID 22382804) is ethenyl 2-(2-methoxyethoxy)acetate.

What is the SMILES notation for ethenyl 2-(2-methoxyethoxy)acetate?

The canonical SMILES for ethenyl 2-(2-methoxyethoxy)acetate is C=COC(=O)COCCOC.

What is the InChIKey of ethenyl 2-(2-methoxyethoxy)acetate?

The InChIKey is ZSRVBTYCSVQSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-3-11-7(8)6-10-5-4-9-2/h3H,1,4-6H2,2H3.

What are the key properties of ethenyl 2-(2-methoxyethoxy)acetate?

ethenyl 2-(2-methoxyethoxy)acetate has a molecular weight of 160.17 g/mol, XLogP of 0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethenyl 2-(2-methoxyethoxy)acetate is sourced from PubChem (CID 22382804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).