Aspergone M

C₁₁H₂₀O₂ — CID 156581220

About Aspergone M

Aspergone M (PubChem CID 156581220) has the molecular formula C₁₁H₂₀O₂ and a molecular weight of 184.28 g/mol. Its IUPAC name is (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol.

Molecular Properties

• Compound Name: Aspergone M
• PubChem CID: 156581220
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.28 g/mol
• Exact Mass: 184.15
• IUPAC Name: (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol
• SMILES: CCC/C(=C\C=C\C[C@@H](C)O)CO
• InChI: InChI=1S/C11H20O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h4-5,8,10,12-13H,3,6-7,9H2,1-2H3/b5-4+,11-8+/t10-/m1/s1
• InChIKey: OEBABHXHOWUJNZ-FMRBXYKSSA-N
• XLogP: 2.03
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.28
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Aspergone M?

The IUPAC name of Aspergone M (CID 156581220) is (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol.

What is the SMILES notation for Aspergone M?

The canonical SMILES for Aspergone M is CCC/C(=C\C=C\C[C@@H](C)O)CO.

What is the InChIKey of Aspergone M?

The InChIKey is OEBABHXHOWUJNZ-FMRBXYKSSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h4-5,8,10,12-13H,3,6-7,9H2,1-2H3/b5-4+,11-8+/t10-/m1/s1.

What are the key properties of Aspergone M?

Aspergone M has a molecular weight of 184.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Aspergone M is sourced from PubChem (CID 156581220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156581220 — identifiers, structure, computed properties (public domain)

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