[3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane

C24H44OSi3 — CID 10574782

About [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane

[3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane (PubChem CID 10574782) has the molecular formula C24H44OSi3 and a molecular weight of 432.87 g/mol. Its IUPAC name is [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane
• PubChem CID: 10574782
• Molecular Formula: C24H44OSi3
• Molecular Weight: 432.87 g/mol
• Exact Mass: 432.27
• IUPAC Name: [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane
• SMILES: C[Si](C)(C)C#C/C(=C\C1CCC(O[Si](C)(C)C)=C1C1CCCCC1)[Si](C)(C)C
• InChI: InChI=1S/C24H44OSi3/c1-26(2,3)18-17-22(27(4,5)6)19-21-15-16-23(25-28(7,8)9)24(21)20-13-11-10-12-14-20/h19-21H,10-16H2,1-9H3/b22-19+
• InChIKey: UVOQYXJMKCXKLR-ZBJSNUHESA-N
• XLogP: 7.77
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.87
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane?

The IUPAC name of [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane (CID 10574782) is [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane.

What is the SMILES notation for [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane?

The canonical SMILES for [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane is C[Si](C)(C)C#C/C(=C\C1CCC(O[Si](C)(C)C)=C1C1CCCCC1)[Si](C)(C)C.

What is the InChIKey of [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane?

The InChIKey is UVOQYXJMKCXKLR-ZBJSNUHESA-N. The full InChI is InChI=1S/C24H44OSi3/c1-26(2,3)18-17-22(27(4,5)6)19-21-15-16-23(25-28(7,8)9)24(21)20-13-11-10-12-14-20/h19-21H,10-16H2,1-9H3/b22-19+.

What are the key properties of [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane?

[3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane has a molecular weight of 432.87 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 10574782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).