Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane

C₁₇H₃₀OSi — CID 139252758

About Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane

Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane (PubChem CID 139252758) has the molecular formula C₁₇H₃₀OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane.

Molecular Properties

• Compound Name: Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane
• PubChem CID: 139252758
• Molecular Formula: C₁₇H₃₀OSi
• Molecular Weight: 278.51 g/mol
• Exact Mass: 278.21
• IUPAC Name: tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane
• SMILES: C#CC(CC(=C)CCCC=C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C17H30OSi/c1-9-11-12-13-15(3)14-16(10-2)18-19(7,8)17(4,5)6/h2,9,16H,1,3,11-14H2,4-8H3
• InChIKey: XWSVLABEOPRZDD-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	278.51
LogP ≤ 5	5.31
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-(5-methylidenedec-9-en-1-yn-3-yloxy)silane?

The IUPAC name of Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane (CID 139252758) is tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane.

What is the SMILES notation for Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane?

The canonical SMILES for Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane is C#CC(CC(=C)CCCC=C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane?

The InChIKey is XWSVLABEOPRZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-9-11-12-13-15(3)14-16(10-2)18-19(7,8)17(4,5)6/h2,9,16H,1,3,11-14H2,4-8H3.

What are the key properties of Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane?

Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane has a molecular weight of 278.51 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane is sourced from PubChem (CID 139252758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139252758 — identifiers, structure, computed properties (public domain)

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