Alvinol

C₇H₉ClO — CID 3281

About Alvinol

Alvinol (PubChem CID 3281) has the molecular formula C₇H₉ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 1-chloro-3-ethylpent-1-en-4-yn-3-ol.

Molecular Properties

• Compound Name: Alvinol
• PubChem CID: 3281
• Molecular Formula: C₇H₉ClO
• Molecular Weight: 144.60 g/mol
• Exact Mass: 144.03
• IUPAC Name: 1-chloro-3-ethylpent-1-en-4-yn-3-ol
• SMILES: C#CC(O)(C=CCl)CC
• InChI: InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3
• InChIKey: ZEHYJZXQEQOSON-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	144.60
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Alvinol?

The IUPAC name of Alvinol (CID 3281) is 1-chloro-3-ethylpent-1-en-4-yn-3-ol.

What is the SMILES notation for Alvinol?

The canonical SMILES for Alvinol is C#CC(O)(C=CCl)CC.

What is the InChIKey of Alvinol?

The InChIKey is ZEHYJZXQEQOSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3.

What are the key properties of Alvinol?

Alvinol has a molecular weight of 144.60 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Alvinol is sourced from PubChem (CID 3281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3281 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1078 — approved-drug record (CC BY-SA 4.0)

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