4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid

C₁₀H₁₆O₄ — CID 173009851

About 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid

4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid (PubChem CID 173009851) has the molecular formula C₁₀H₁₆O₄ and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid.

Molecular Properties

• Compound Name: 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
• PubChem CID: 173009851
• Molecular Formula: C₁₀H₁₆O₄
• Molecular Weight: 200.23 g/mol
• Exact Mass: 200.10
• IUPAC Name: 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
• SMILES: C=COCCOC(C)C=C(C)C(=O)O
• InChI: InChI=1S/C10H16O4/c1-4-13-5-6-14-9(3)7-8(2)10(11)12/h4,7,9H,1,5-6H2,2-3H3,(H,11,12)
• InChIKey: JQRYSRBJXKIINU-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.23
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid?

The IUPAC name of 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid (CID 173009851) is 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid.

What is the SMILES notation for 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid?

The canonical SMILES for 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid is C=COCCOC(C)C=C(C)C(=O)O.

What is the InChIKey of 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid?

The InChIKey is JQRYSRBJXKIINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-13-5-6-14-9(3)7-8(2)10(11)12/h4,7,9H,1,5-6H2,2-3H3,(H,11,12).

What are the key properties of 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid?

4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid is sourced from PubChem (CID 173009851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173009851 — identifiers, structure, computed properties (public domain)

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