5-Hydroxy-2-hexenoic acid lactone

C₆H₈O₂ — CID 24869

About 5-Hydroxy-2-hexenoic acid lactone

5-Hydroxy-2-hexenoic acid lactone (PubChem CID 24869) has the molecular formula C₆H₈O₂ and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methyl-2,3-dihydropyran-6-one.

Molecular Properties

• Compound Name: 5-Hydroxy-2-hexenoic acid lactone
• PubChem CID: 24869
• Molecular Formula: C₆H₈O₂
• Molecular Weight: 112.13 g/mol
• Exact Mass: 112.05
• IUPAC Name: 2-methyl-2,3-dihydropyran-6-one
• SMILES: CC1CC=CC(=O)O1
• InChI: InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3
• InChIKey: DYNKRGCMLGUEMN-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	112.13
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-Hydroxy-2-hexenoic acid lactone?

The IUPAC name of 5-Hydroxy-2-hexenoic acid lactone (CID 24869) is 2-methyl-2,3-dihydropyran-6-one.

What is the SMILES notation for 5-Hydroxy-2-hexenoic acid lactone?

The canonical SMILES for 5-Hydroxy-2-hexenoic acid lactone is CC1CC=CC(=O)O1.

What is the InChIKey of 5-Hydroxy-2-hexenoic acid lactone?

The InChIKey is DYNKRGCMLGUEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3.

What are the key properties of 5-Hydroxy-2-hexenoic acid lactone?

5-Hydroxy-2-hexenoic acid lactone has a molecular weight of 112.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Hydroxy-2-hexenoic acid lactone is sourced from PubChem (CID 24869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24869 — identifiers, structure, computed properties (public domain)

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