Meparfynol

C₆H₁₀O — CID 6494

About Meparfynol

Meparfynol (PubChem CID 6494) has the molecular formula C₆H₁₀O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methylpent-1-yn-3-ol.

Molecular Properties

• Compound Name: Meparfynol
• PubChem CID: 6494
• Molecular Formula: C₆H₁₀O
• Molecular Weight: 98.14 g/mol
• Exact Mass: 98.07
• IUPAC Name: 3-methylpent-1-yn-3-ol
• SMILES: C#CC(C)(O)CC
• InChI: InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3
• InChIKey: QXLPXWSKPNOQLE-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	98.14
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Meparfynol?

The IUPAC name of Meparfynol (CID 6494) is 3-methylpent-1-yn-3-ol.

What is the SMILES notation for Meparfynol?

The canonical SMILES for Meparfynol is C#CC(C)(O)CC.

What is the InChIKey of Meparfynol?

The InChIKey is QXLPXWSKPNOQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3.

What are the key properties of Meparfynol?

Meparfynol has a molecular weight of 98.14 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Meparfynol is sourced from PubChem (CID 6494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6494 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1687 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.