Oxacyclohexadecan-8-one

C₁₅H₂₈O₂ — CID 168890521

About Oxacyclohexadecan-8-one

Oxacyclohexadecan-8-one (PubChem CID 168890521) has the molecular formula C₁₅H₂₈O₂ and a molecular weight of 240.39 g/mol. Its IUPAC name is oxacyclohexadecan-8-one.

Molecular Properties

• Compound Name: Oxacyclohexadecan-8-one
• PubChem CID: 168890521
• Molecular Formula: C₁₅H₂₈O₂
• Molecular Weight: 240.39 g/mol
• Exact Mass: 240.21
• IUPAC Name: oxacyclohexadecan-8-one
• SMILES: O=C1CCCCCCCCOCCCCCC1
• InChI: InChI=1S/C15H28O2/c16-15-11-7-3-1-2-5-9-13-17-14-10-6-4-8-12-15/h1-14H2
• InChIKey: WCIWRCKKIJMIRK-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.39
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Oxacyclohexadecan-8-one?

The IUPAC name of Oxacyclohexadecan-8-one (CID 168890521) is oxacyclohexadecan-8-one.

What is the SMILES notation for Oxacyclohexadecan-8-one?

The canonical SMILES for Oxacyclohexadecan-8-one is O=C1CCCCCCCCOCCCCCC1.

What is the InChIKey of Oxacyclohexadecan-8-one?

The InChIKey is WCIWRCKKIJMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c16-15-11-7-3-1-2-5-9-13-17-14-10-6-4-8-12-15/h1-14H2.

What are the key properties of Oxacyclohexadecan-8-one?

Oxacyclohexadecan-8-one has a molecular weight of 240.39 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Oxacyclohexadecan-8-one is sourced from PubChem (CID 168890521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168890521 — identifiers, structure, computed properties (public domain)

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