Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene

C₁₄H₁₉NaO₅ — CID 173320687

About Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene

Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene (PubChem CID 173320687) has the molecular formula C₁₄H₁₉NaO₅ and a molecular weight of 290.29 g/mol. Its IUPAC name is sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene.

Molecular Properties

• Compound Name: Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene
• PubChem CID: 173320687
• Molecular Formula: C₁₄H₁₉NaO₅
• Molecular Weight: 290.29 g/mol
• Exact Mass: 290.11
• IUPAC Name: sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene
• SMILES: C=CC(C=C)OC(C=C)C=C.O=C(O)C=CC(=O)O.[H-].[Na+]
• InChI: InChI=1S/C10H14O.C4H4O4.Na.H/c1-5-9(6-2)11-10(7-3)8-4;5-3(6)1-2-4(7)8;;/h5-10H,1-4H2;1-2H,(H,5,6)(H,7,8);;/q;;+1;-1
• InChIKey: FOFLZGRTJWSJJB-UHFFFAOYSA-N
• XLogP: -0.69
• TPSA: 83.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.29
LogP ≤ 5	-0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene?

The IUPAC name of Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene (CID 173320687) is sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene.

What is the SMILES notation for Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene?

The canonical SMILES for Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene is C=CC(C=C)OC(C=C)C=C.O=C(O)C=CC(=O)O.[H-].[Na+].

What is the InChIKey of Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene?

The InChIKey is FOFLZGRTJWSJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C4H4O4.Na.H/c1-5-9(6-2)11-10(7-3)8-4;5-3(6)1-2-4(7)8;;/h5-10H,1-4H2;1-2H,(H,5,6)(H,7,8);;/q;;+1;-1.

What are the key properties of Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene?

Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene has a molecular weight of 290.29 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;but-2-enedioic acid;hydride;3-penta-1,4-dien-3-yloxypenta-1,4-diene is sourced from PubChem (CID 173320687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173320687 — identifiers, structure, computed properties (public domain)

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