Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane

C₂₀H₄₀OSi — CID 138966359

About Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane

Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane (PubChem CID 138966359) has the molecular formula C₂₀H₄₀OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane.

Molecular Properties

• Compound Name: Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane
• PubChem CID: 138966359
• Molecular Formula: C₂₀H₄₀OSi
• Molecular Weight: 324.63 g/mol
• Exact Mass: 324.28
• IUPAC Name: tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane
• SMILES: C/C1=C/CCCCC(C)(CCCCO[Si](C)(C)C(C)(C)C)C1
• InChI: InChI=1S/C20H40OSi/c1-18-13-9-8-10-14-20(5,17-18)15-11-12-16-21-22(6,7)19(2,3)4/h13H,8-12,14-17H2,1-7H3/b18-13-
• InChIKey: RRNPCOLIRCVUSS-AQTBWJFISA-N
• XLogP: 7.10
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	324.63
LogP ≤ 5	7.10
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'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane?

The IUPAC name of Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane (CID 138966359) is tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane.

What is the SMILES notation for Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane?

The canonical SMILES for Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane is C/C1=C/CCCCC(C)(CCCCO[Si](C)(C)C(C)(C)C)C1.

What is the InChIKey of Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane?

The InChIKey is RRNPCOLIRCVUSS-AQTBWJFISA-N. The full InChI is InChI=1S/C20H40OSi/c1-18-13-9-8-10-14-20(5,17-18)15-11-12-16-21-22(6,7)19(2,3)4/h13H,8-12,14-17H2,1-7H3/b18-13-.

What are the key properties of Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane?

Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane has a molecular weight of 324.63 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane is sourced from PubChem (CID 138966359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138966359 — identifiers, structure, computed properties (public domain)

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