trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate

C28H51NO4Si2 — CID 91752989

About trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate

trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate (PubChem CID 91752989) has the molecular formula C28H51NO4Si2 and a molecular weight of 521.89 g/mol. Its IUPAC name is trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate.

Molecular Properties

• Compound Name: trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate
• PubChem CID: 91752989
• Molecular Formula: C28H51NO4Si2
• Molecular Weight: 521.89 g/mol
• Exact Mass: 521.34
• IUPAC Name: trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate
• SMILES: CCCCC[C@@H](/C=C/[C@H]1C=C/C(=N\OCC)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C28H51NO4Si2/c1-9-11-14-17-25(32-34(3,4)5)22-20-24-21-23-27(29-31-10-2)26(24)18-15-12-13-16-19-28(30)33-35(6,7)8/h12,15,20-26H,9-11,13-14,16-19H2,1-8H3/b15-12-,22-20+,29-27+/t24-,25-,26+/m0/s1
• InChIKey: FAIKGANMUMFBOQ-OITWTDQISA-N
• XLogP: 8.03
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.89
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate?

The IUPAC name of trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate (CID 91752989) is trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate.

What is the SMILES notation for trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate?

The canonical SMILES for trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate is CCCCC[C@@H](/C=C/[C@H]1C=C/C(=N\OCC)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate?

The InChIKey is FAIKGANMUMFBOQ-OITWTDQISA-N. The full InChI is InChI=1S/C28H51NO4Si2/c1-9-11-14-17-25(32-34(3,4)5)22-20-24-21-23-27(29-31-10-2)26(24)18-15-12-13-16-19-28(30)33-35(6,7)8/h12,15,20-26H,9-11,13-14,16-19H2,1-8H3/b15-12-,22-20+,29-27+/t24-,25-,26+/m0/s1.

What are the key properties of trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate?

trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate has a molecular weight of 521.89 g/mol, XLogP of 8.03, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate is sourced from PubChem (CID 91752989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).