9-Methylcyclopentadecene

C₁₆H₃₀ — CID 154291341

About 9-Methylcyclopentadecene

9-Methylcyclopentadecene (PubChem CID 154291341) has the molecular formula C₁₆H₃₀ and a molecular weight of 222.42 g/mol. Its IUPAC name is 9-methylcyclopentadecene.

Molecular Properties

• Compound Name: 9-Methylcyclopentadecene
• PubChem CID: 154291341
• Molecular Formula: C₁₆H₃₀
• Molecular Weight: 222.42 g/mol
• Exact Mass: 222.23
• IUPAC Name: 9-methylcyclopentadecene
• SMILES: CC1CCCCCCC=CCCCCCC1
• InChI: InChI=1S/C16H30/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h2-3,16H,4-15H2,1H3
• InChIKey: VSUQJVNGAZCJPK-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 0.00 Ų
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	222.42
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-Methylcyclopentadecene?

The IUPAC name of 9-Methylcyclopentadecene (CID 154291341) is 9-methylcyclopentadecene.

What is the SMILES notation for 9-Methylcyclopentadecene?

The canonical SMILES for 9-Methylcyclopentadecene is CC1CCCCCCC=CCCCCCC1.

What is the InChIKey of 9-Methylcyclopentadecene?

The InChIKey is VSUQJVNGAZCJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h2-3,16H,4-15H2,1H3.

What are the key properties of 9-Methylcyclopentadecene?

9-Methylcyclopentadecene has a molecular weight of 222.42 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-Methylcyclopentadecene is sourced from PubChem (CID 154291341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154291341 — identifiers, structure, computed properties (public domain)

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