(E)-5-hydroxy-2-methoxypent-3-enoic acid

C₆H₁₀O₄ — CID 57173639

About (E)-5-hydroxy-2-methoxypent-3-enoic acid

(E)-5-hydroxy-2-methoxypent-3-enoic acid (PubChem CID 57173639) has the molecular formula C₆H₁₀O₄ and a molecular weight of 146.14 g/mol. Its IUPAC name is (E)-5-hydroxy-2-methoxypent-3-enoic acid.

Molecular Properties

• Compound Name: (E)-5-hydroxy-2-methoxypent-3-enoic acid
• PubChem CID: 57173639
• Molecular Formula: C₆H₁₀O₄
• Molecular Weight: 146.14 g/mol
• Exact Mass: 146.06
• IUPAC Name: (E)-5-hydroxy-2-methoxypent-3-enoic acid
• SMILES: COC(/C=C/CO)C(=O)O
• InChI: InChI=1S/C6H10O4/c1-10-5(6(8)9)3-2-4-7/h2-3,5,7H,4H2,1H3,(H,8,9)/b3-2+
• InChIKey: CTCKZTYJXVHHJH-NSCUHMNNSA-N
• XLogP: -0.37
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	146.14
LogP ≤ 5	-0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2-methoxypent-3-enoic acid?

The IUPAC name of (E)-5-hydroxy-2-methoxypent-3-enoic acid (CID 57173639) is (E)-5-hydroxy-2-methoxypent-3-enoic acid.

What is the SMILES notation for (E)-5-hydroxy-2-methoxypent-3-enoic acid?

The canonical SMILES for (E)-5-hydroxy-2-methoxypent-3-enoic acid is COC(/C=C/CO)C(=O)O.

What is the InChIKey of (E)-5-hydroxy-2-methoxypent-3-enoic acid?

The InChIKey is CTCKZTYJXVHHJH-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O4/c1-10-5(6(8)9)3-2-4-7/h2-3,5,7H,4H2,1H3,(H,8,9)/b3-2+.

What are the key properties of (E)-5-hydroxy-2-methoxypent-3-enoic acid?

(E)-5-hydroxy-2-methoxypent-3-enoic acid has a molecular weight of 146.14 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-5-hydroxy-2-methoxypent-3-enoic acid is sourced from PubChem (CID 57173639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57173639 — identifiers, structure, computed properties (public domain)

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