[2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane

C₁₂H₂₄O₃Si — CID 123986696

About [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane

[2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane (PubChem CID 123986696) has the molecular formula C₁₂H₂₄O₃Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane.

Molecular Properties

• Compound Name: [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane
• PubChem CID: 123986696
• Molecular Formula: C₁₂H₂₄O₃Si
• Molecular Weight: 244.41 g/mol
• Exact Mass: 244.15
• IUPAC Name: [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane
• SMILES: COC(=C(OC)C1([SiH3])CCCCO1)C(C)C
• InChI: InChI=1S/C12H24O3Si/c1-9(2)10(13-3)11(14-4)12(16)7-5-6-8-15-12/h9H,5-8H2,1-4,16H3
• InChIKey: OQWNESLUIJYYJG-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.41
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane?

The IUPAC name of [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane (CID 123986696) is [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane.

What is the SMILES notation for [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane?

The canonical SMILES for [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane is COC(=C(OC)C1([SiH3])CCCCO1)C(C)C.

What is the InChIKey of [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane?

The InChIKey is OQWNESLUIJYYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(2)10(13-3)11(14-4)12(16)7-5-6-8-15-12/h9H,5-8H2,1-4,16H3.

What are the key properties of [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane?

[2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane has a molecular weight of 244.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane is sourced from PubChem (CID 123986696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123986696 — identifiers, structure, computed properties (public domain)

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