5-Hexoxypentyl prop-2-enoate

C₁₄H₂₆O₃ — CID 141336215

About 5-Hexoxypentyl prop-2-enoate

5-Hexoxypentyl prop-2-enoate (PubChem CID 141336215) has the molecular formula C₁₄H₂₆O₃ and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-hexoxypentyl prop-2-enoate.

Molecular Properties

• Compound Name: 5-Hexoxypentyl prop-2-enoate
• PubChem CID: 141336215
• Molecular Formula: C₁₄H₂₆O₃
• Molecular Weight: 242.36 g/mol
• Exact Mass: 242.19
• IUPAC Name: 5-hexoxypentyl prop-2-enoate
• SMILES: C=CC(=O)OCCCCCOCCCCCC
• InChI: InChI=1S/C14H26O3/c1-3-5-6-8-11-16-12-9-7-10-13-17-14(15)4-2/h4H,2-3,5-13H2,1H3
• InChIKey: OUZYUUHNUABLGP-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	242.36
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-Hexoxypentyl prop-2-enoate?

The IUPAC name of 5-Hexoxypentyl prop-2-enoate (CID 141336215) is 5-hexoxypentyl prop-2-enoate.

What is the SMILES notation for 5-Hexoxypentyl prop-2-enoate?

The canonical SMILES for 5-Hexoxypentyl prop-2-enoate is C=CC(=O)OCCCCCOCCCCCC.

What is the InChIKey of 5-Hexoxypentyl prop-2-enoate?

The InChIKey is OUZYUUHNUABLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-8-11-16-12-9-7-10-13-17-14(15)4-2/h4H,2-3,5-13H2,1H3.

What are the key properties of 5-Hexoxypentyl prop-2-enoate?

5-Hexoxypentyl prop-2-enoate has a molecular weight of 242.36 g/mol, XLogP of 3.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Hexoxypentyl prop-2-enoate is sourced from PubChem (CID 141336215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141336215 — identifiers, structure, computed properties (public domain)

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