[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate

C₁₇H₂₀O₃Si — CID 101159321

About [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate

[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate (PubChem CID 101159321) has the molecular formula C₁₇H₂₀O₃Si and a molecular weight of 300.43 g/mol. Its IUPAC name is [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate.

Molecular Properties

• Compound Name: [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate
• PubChem CID: 101159321
• Molecular Formula: C₁₇H₂₀O₃Si
• Molecular Weight: 300.43 g/mol
• Exact Mass: 300.12
• IUPAC Name: [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate
• SMILES: C[Si](C)(C)C#C/C=C\CCOC(=O)c1ccccc1C=O
• InChI: InChI=1S/C17H20O3Si/c1-21(2,3)13-9-5-4-8-12-20-17(19)16-11-7-6-10-15(16)14-18/h4-7,10-11,14H,8,12H2,1-3H3/b5-4-
• InChIKey: HXLSOPVARPNIDH-PLNGDYQASA-N
• XLogP: 3.48
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.43
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate?

The IUPAC name of [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate (CID 101159321) is [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate.

What is the SMILES notation for [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate?

The canonical SMILES for [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate is C[Si](C)(C)C#C/C=C\CCOC(=O)c1ccccc1C=O.

What is the InChIKey of [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate?

The InChIKey is HXLSOPVARPNIDH-PLNGDYQASA-N. The full InChI is InChI=1S/C17H20O3Si/c1-21(2,3)13-9-5-4-8-12-20-17(19)16-11-7-6-10-15(16)14-18/h4-7,10-11,14H,8,12H2,1-3H3/b5-4-.

What are the key properties of [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate?

[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate has a molecular weight of 300.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate is sourced from PubChem (CID 101159321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 101159321 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.