(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene

C₁₅H₂₅FO₃ — CID 155119673

About (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene

(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene (PubChem CID 155119673) has the molecular formula C₁₅H₂₅FO₃ and a molecular weight of 272.36 g/mol. Its IUPAC name is (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene.

Molecular Properties

• Compound Name: (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
• PubChem CID: 155119673
• Molecular Formula: C₁₅H₂₅FO₃
• Molecular Weight: 272.36 g/mol
• Exact Mass: 272.18
• IUPAC Name: (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
• SMILES: C=C(/C=C(OCCOCC(C)F)\C(=C/C)OC)CC
• InChI: InChI=1S/C15H25FO3/c1-6-12(3)10-15(14(7-2)17-5)19-9-8-18-11-13(4)16/h7,10,13H,3,6,8-9,11H2,1-2,4-5H3/b14-7+,15-10+
• InChIKey: XECHNRRWBWHTJB-IXQOFYBQSA-N
• XLogP: 3.78
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.36
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene?

The IUPAC name of (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene (CID 155119673) is (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene.

What is the SMILES notation for (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene?

The canonical SMILES for (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene is C=C(/C=C(OCCOCC(C)F)\C(=C/C)OC)CC.

What is the InChIKey of (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene?

The InChIKey is XECHNRRWBWHTJB-IXQOFYBQSA-N. The full InChI is InChI=1S/C15H25FO3/c1-6-12(3)10-15(14(7-2)17-5)19-9-8-18-11-13(4)16/h7,10,13H,3,6,8-9,11H2,1-2,4-5H3/b14-7+,15-10+.

What are the key properties of (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene?

(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene has a molecular weight of 272.36 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene is sourced from PubChem (CID 155119673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155119673 — identifiers, structure, computed properties (public domain)

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