5-bromopent-4-en-1-ol

C5H9BrO — CID 78088319

About 5-bromopent-4-en-1-ol

5-bromopent-4-en-1-ol (PubChem CID 78088319) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 5-bromopent-4-en-1-ol.

Molecular Properties

• Compound Name: 5-bromopent-4-en-1-ol
• PubChem CID: 78088319
• Molecular Formula: C5H9BrO
• Molecular Weight: 165.03 g/mol
• Exact Mass: 163.98
• IUPAC Name: 5-bromopent-4-en-1-ol
• SMILES: OCCCC=CBr
• InChI: InChI=1S/C5H9BrO/c6-4-2-1-3-5-7/h2,4,7H,1,3,5H2
• InChIKey: CQVNJSLXBGZIQG-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.03
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromopent-4-en-1-ol?

The IUPAC name of 5-bromopent-4-en-1-ol (CID 78088319) is 5-bromopent-4-en-1-ol.

What is the SMILES notation for 5-bromopent-4-en-1-ol?

The canonical SMILES for 5-bromopent-4-en-1-ol is OCCCC=CBr.

What is the InChIKey of 5-bromopent-4-en-1-ol?

The InChIKey is CQVNJSLXBGZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c6-4-2-1-3-5-7/h2,4,7H,1,3,5H2.

What are the key properties of 5-bromopent-4-en-1-ol?

5-bromopent-4-en-1-ol has a molecular weight of 165.03 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopent-4-en-1-ol is sourced from PubChem (CID 78088319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).