Undec-10-enyl 4-chlorobutanoate

C₁₅H₂₇ClO₂ — CID 16656319

About Undec-10-enyl 4-chlorobutanoate

Undec-10-enyl 4-chlorobutanoate (PubChem CID 16656319) has the molecular formula C₁₅H₂₇ClO₂ and a molecular weight of 274.83 g/mol. Its IUPAC name is undec-10-enyl 4-chlorobutanoate.

Molecular Properties

• Compound Name: Undec-10-enyl 4-chlorobutanoate
• PubChem CID: 16656319
• Molecular Formula: C₁₅H₂₇ClO₂
• Molecular Weight: 274.83 g/mol
• Exact Mass: 274.17
• IUPAC Name: undec-10-enyl 4-chlorobutanoate
• SMILES: C=CCCCCCCCCCOC(=O)CCCCl
• InChI: InChI=1S/C15H27ClO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h2H,1,3-14H2
• InChIKey: CUGWHYJZQSVGIQ-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.83
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Undec-10-enyl 4-chlorobutanoate?

The IUPAC name of Undec-10-enyl 4-chlorobutanoate (CID 16656319) is undec-10-enyl 4-chlorobutanoate.

What is the SMILES notation for Undec-10-enyl 4-chlorobutanoate?

The canonical SMILES for Undec-10-enyl 4-chlorobutanoate is C=CCCCCCCCCCOC(=O)CCCCl.

What is the InChIKey of Undec-10-enyl 4-chlorobutanoate?

The InChIKey is CUGWHYJZQSVGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h2H,1,3-14H2.

What are the key properties of Undec-10-enyl 4-chlorobutanoate?

Undec-10-enyl 4-chlorobutanoate has a molecular weight of 274.83 g/mol, XLogP of 4.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Undec-10-enyl 4-chlorobutanoate is sourced from PubChem (CID 16656319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 16656319 — identifiers, structure, computed properties (public domain)

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