(3E)-4-ethyl-5-methylhexa-1,3-diene

C₉H₁₆ — CID 142915962

About (3E)-4-ethyl-5-methylhexa-1,3-diene

(3E)-4-ethyl-5-methylhexa-1,3-diene (PubChem CID 142915962) has the molecular formula C₉H₁₆ and a molecular weight of 124.23 g/mol. Its IUPAC name is (3E)-4-ethyl-5-methylhexa-1,3-diene.

Molecular Properties

• Compound Name: (3E)-4-ethyl-5-methylhexa-1,3-diene
• PubChem CID: 142915962
• Molecular Formula: C₉H₁₆
• Molecular Weight: 124.23 g/mol
• Exact Mass: 124.13
• IUPAC Name: (3E)-4-ethyl-5-methylhexa-1,3-diene
• SMILES: C=C/C=C(\CC)C(C)C
• InChI: InChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h5,7-8H,1,6H2,2-4H3/b9-7+
• InChIKey: JYQDWKQFNMSSAX-VQHVLOKHSA-N
• XLogP: 3.16
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	124.23
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E)-4-ethyl-5-methylhexa-1,3-diene?

The IUPAC name of (3E)-4-ethyl-5-methylhexa-1,3-diene (CID 142915962) is (3E)-4-ethyl-5-methylhexa-1,3-diene.

What is the SMILES notation for (3E)-4-ethyl-5-methylhexa-1,3-diene?

The canonical SMILES for (3E)-4-ethyl-5-methylhexa-1,3-diene is C=C/C=C(\CC)C(C)C.

What is the InChIKey of (3E)-4-ethyl-5-methylhexa-1,3-diene?

The InChIKey is JYQDWKQFNMSSAX-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h5,7-8H,1,6H2,2-4H3/b9-7+.

What are the key properties of (3E)-4-ethyl-5-methylhexa-1,3-diene?

(3E)-4-ethyl-5-methylhexa-1,3-diene has a molecular weight of 124.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-4-ethyl-5-methylhexa-1,3-diene is sourced from PubChem (CID 142915962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142915962 — identifiers, structure, computed properties (public domain)

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