ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate

C26H52O3Si3 — CID 135062681

About ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate

ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate (PubChem CID 135062681) has the molecular formula C26H52O3Si3 and a molecular weight of 496.96 g/mol. Its IUPAC name is ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate.

Molecular Properties

• Compound Name: ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate
• PubChem CID: 135062681
• Molecular Formula: C26H52O3Si3
• Molecular Weight: 496.96 g/mol
• Exact Mass: 496.32
• IUPAC Name: ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate
• SMILES: CCOC(=O)/C=C/C(=C/C([Si](CC)(CC)CC)[Si](CC)(CC)CC)OC/C=C/[Si](C)(C)C
• InChI: InChI=1S/C26H52O3Si3/c1-11-28-25(27)20-19-24(29-21-18-22-30(8,9)10)23-26(31(12-2,13-3)14-4)32(15-5,16-6)17-7/h18-20,22-23,26H,11-17,21H2,1-10H3/b20-19+,22-18+,24-23-
• InChIKey: BUONEXZDFPRGAT-CQXOVMFUSA-N
• XLogP: 8.37
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.96
LogP ≤ 5	8.37
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate?

The IUPAC name of ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate (CID 135062681) is ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate.

What is the SMILES notation for ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate?

The canonical SMILES for ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate is CCOC(=O)/C=C/C(=C/C([Si](CC)(CC)CC)[Si](CC)(CC)CC)OC/C=C/[Si](C)(C)C.

What is the InChIKey of ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate?

The InChIKey is BUONEXZDFPRGAT-CQXOVMFUSA-N. The full InChI is InChI=1S/C26H52O3Si3/c1-11-28-25(27)20-19-24(29-21-18-22-30(8,9)10)23-26(31(12-2,13-3)14-4)32(15-5,16-6)17-7/h18-20,22-23,26H,11-17,21H2,1-10H3/b20-19+,22-18+,24-23-.

What are the key properties of ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate?

ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate has a molecular weight of 496.96 g/mol, XLogP of 8.37, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate is sourced from PubChem (CID 135062681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).