Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane

C₂₄H₄₀O₄Si₂ — CID 155887695

About Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane

Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane (PubChem CID 155887695) has the molecular formula C₂₄H₄₀O₄Si₂ and a molecular weight of 448.75 g/mol. Its IUPAC name is dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane.

Molecular Properties

• Compound Name: Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane
• PubChem CID: 155887695
• Molecular Formula: C₂₄H₄₀O₄Si₂
• Molecular Weight: 448.75 g/mol
• Exact Mass: 448.25
• IUPAC Name: dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane
• SMILES: C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C.C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C
• InChI: InChI=1S/2C12H20O2Si/c2*1-9-11(3,4)13-15(7,8)14-12(5,6)10-2/h2*1-2H,3-8H3
• InChIKey: QLDMNVIGUSHKDK-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.75
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane?

The IUPAC name of Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane (CID 155887695) is dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane.

What is the SMILES notation for Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane?

The canonical SMILES for Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane is C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C.C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C.

What is the InChIKey of Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane?

The InChIKey is QLDMNVIGUSHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20O2Si/c2*1-9-11(3,4)13-15(7,8)14-12(5,6)10-2/h2*1-2H,3-8H3.

What are the key properties of Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane?

Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane has a molecular weight of 448.75 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane is sourced from PubChem (CID 155887695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155887695 — identifiers, structure, computed properties (public domain)

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