Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane

C₁₆H₃₀OSi — CID 122395882

About Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane

Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane (PubChem CID 122395882) has the molecular formula C₁₆H₃₀OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane.

Molecular Properties

• Compound Name: Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane
• PubChem CID: 122395882
• Molecular Formula: C₁₆H₃₀OSi
• Molecular Weight: 266.50 g/mol
• Exact Mass: 266.21
• IUPAC Name: tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane
• SMILES: C#CC(C)(CCCCC=C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C16H30OSi/c1-9-11-12-13-14-16(6,10-2)17-18(7,8)15(3,4)5/h2,9H,1,11-14H2,3-8H3
• InChIKey: NKUKVKLDWHLKDW-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	266.50
LogP ≤ 5	5.15
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane?

The IUPAC name of Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane (CID 122395882) is tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane.

What is the SMILES notation for Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane?

The canonical SMILES for Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane is C#CC(C)(CCCCC=C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane?

The InChIKey is NKUKVKLDWHLKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-9-11-12-13-14-16(6,10-2)17-18(7,8)15(3,4)5/h2,9H,1,11-14H2,3-8H3.

What are the key properties of Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane?

Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane has a molecular weight of 266.50 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane is sourced from PubChem (CID 122395882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122395882 — identifiers, structure, computed properties (public domain)

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