8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane

C₁₆H₃₀OSi — CID 87079683

About 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane

8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane (PubChem CID 87079683) has the molecular formula C₁₆H₃₀OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane.

Molecular Properties

• Compound Name: 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane
• PubChem CID: 87079683
• Molecular Formula: C₁₆H₃₀OSi
• Molecular Weight: 266.50 g/mol
• Exact Mass: 266.21
• IUPAC Name: 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane
• SMILES: CO[Si](C)(C)CCCCCCCCC1=CCC=C1
• InChI: InChI=1S/C16H30OSi/c1-17-18(2,3)15-11-7-5-4-6-8-12-16-13-9-10-14-16/h9,13-14H,4-8,10-12,15H2,1-3H3
• InChIKey: BTINXXMIODUACD-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	266.50
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane?

The IUPAC name of 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane (CID 87079683) is 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane.

What is the SMILES notation for 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane?

The canonical SMILES for 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane is CO[Si](C)(C)CCCCCCCCC1=CCC=C1.

What is the InChIKey of 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane?

The InChIKey is BTINXXMIODUACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-17-18(2,3)15-11-7-5-4-6-8-12-16-13-9-10-14-16/h9,13-14H,4-8,10-12,15H2,1-3H3.

What are the key properties of 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane?

8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane is sourced from PubChem (CID 87079683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87079683 — identifiers, structure, computed properties (public domain)

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