Scopranone Beta

C₁₇H₂₈O₂ — CID 139591105

About Scopranone Beta

Scopranone Beta (PubChem CID 139591105) has the molecular formula C₁₇H₂₈O₂ and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one.

Molecular Properties

• Compound Name: Scopranone Beta
• PubChem CID: 139591105
• Molecular Formula: C₁₇H₂₈O₂
• Molecular Weight: 264.41 g/mol
• Exact Mass: 264.21
• IUPAC Name: 2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one
• SMILES: CC=C(CC)C1=C(CC(CC)CC)C(=O)C(CC)O1
• InChI: InChI=1S/C17H28O2/c1-6-12(7-2)11-14-16(18)15(10-5)19-17(14)13(8-3)9-4/h8,12,15H,6-7,9-11H2,1-5H3
• InChIKey: NYQPBYWILGDRPP-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.41
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Scopranone Beta?

The IUPAC name of Scopranone Beta (CID 139591105) is 2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one.

What is the SMILES notation for Scopranone Beta?

The canonical SMILES for Scopranone Beta is CC=C(CC)C1=C(CC(CC)CC)C(=O)C(CC)O1.

What is the InChIKey of Scopranone Beta?

The InChIKey is NYQPBYWILGDRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-12(7-2)11-14-16(18)15(10-5)19-17(14)13(8-3)9-4/h8,12,15H,6-7,9-11H2,1-5H3.

What are the key properties of Scopranone Beta?

Scopranone Beta has a molecular weight of 264.41 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Scopranone Beta is sourced from PubChem (CID 139591105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139591105 — identifiers, structure, computed properties (public domain)

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