[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene

C₁₅H₂₀O — CID 143141448

About [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene

[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene (PubChem CID 143141448) has the molecular formula C₁₅H₂₀O and a molecular weight of 216.32 g/mol. Its IUPAC name is [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene.

Molecular Properties

• Compound Name: [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene
• PubChem CID: 143141448
• Molecular Formula: C₁₅H₂₀O
• Molecular Weight: 216.32 g/mol
• Exact Mass: 216.15
• IUPAC Name: [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene
• SMILES: C/C=C\C=C(\COCC)Cc1ccccc1
• InChI: InChI=1S/C15H20O/c1-3-5-9-15(13-16-4-2)12-14-10-7-6-8-11-14/h3,5-11H,4,12-13H2,1-2H3/b5-3-,15-9+
• InChIKey: XBPZNXYWEKMYBE-WURXWAMFSA-N
• XLogP: 3.77
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.32
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene?

The IUPAC name of [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene (CID 143141448) is [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene.

What is the SMILES notation for [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene?

The canonical SMILES for [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene is C/C=C\C=C(\COCC)Cc1ccccc1.

What is the InChIKey of [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene?

The InChIKey is XBPZNXYWEKMYBE-WURXWAMFSA-N. The full InChI is InChI=1S/C15H20O/c1-3-5-9-15(13-16-4-2)12-14-10-7-6-8-11-14/h3,5-11H,4,12-13H2,1-2H3/b5-3-,15-9+.

What are the key properties of [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene?

[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene has a molecular weight of 216.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene is sourced from PubChem (CID 143141448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143141448 — identifiers, structure, computed properties (public domain)

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