(4E)-3,7-dimethylocta-4,6-dien-1-ol

C₁₀H₁₈O — CID 15267831

About (4E)-3,7-dimethylocta-4,6-dien-1-ol

(4E)-3,7-dimethylocta-4,6-dien-1-ol (PubChem CID 15267831) has the molecular formula C₁₀H₁₈O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4E)-3,7-dimethylocta-4,6-dien-1-ol.

Molecular Properties

• Compound Name: (4E)-3,7-dimethylocta-4,6-dien-1-ol
• PubChem CID: 15267831
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25 g/mol
• Exact Mass: 154.14
• IUPAC Name: (4E)-3,7-dimethylocta-4,6-dien-1-ol
• SMILES: CC(C)=C/C=C/C(C)CCO
• InChI: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h4-6,10-11H,7-8H2,1-3H3/b6-4+
• InChIKey: CXHLZAFYZWLCIN-GQCTYLIASA-N
• XLogP: 2.53
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.25
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
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 (4E)-3,7-dimethylocta-4,6-dien-1-ol?

The IUPAC name of (4E)-3,7-dimethylocta-4,6-dien-1-ol (CID 15267831) is (4E)-3,7-dimethylocta-4,6-dien-1-ol.

What is the SMILES notation for (4E)-3,7-dimethylocta-4,6-dien-1-ol?

The canonical SMILES for (4E)-3,7-dimethylocta-4,6-dien-1-ol is CC(C)=C/C=C/C(C)CCO.

What is the InChIKey of (4E)-3,7-dimethylocta-4,6-dien-1-ol?

The InChIKey is CXHLZAFYZWLCIN-GQCTYLIASA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h4-6,10-11H,7-8H2,1-3H3/b6-4+.

What are the key properties of (4E)-3,7-dimethylocta-4,6-dien-1-ol?

(4E)-3,7-dimethylocta-4,6-dien-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4E)-3,7-dimethylocta-4,6-dien-1-ol is sourced from PubChem (CID 15267831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15267831 — identifiers, structure, computed properties (public domain)

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