trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate

C32H63NO5Si3 — CID 91749039

About trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate

trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate (PubChem CID 91749039) has the molecular formula C32H63NO5Si3 and a molecular weight of 626.12 g/mol. Its IUPAC name is trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate.

Molecular Properties

• Compound Name: trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate
• PubChem CID: 91749039
• Molecular Formula: C32H63NO5Si3
• Molecular Weight: 626.12 g/mol
• Exact Mass: 625.40
• IUPAC Name: trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate
• SMILES: CCCCC[C@@](C)(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C/C(=N\OCC)[C@@H]1C/C=C/CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C32H63NO5Si3/c1-13-15-20-24-32(3,38-41(10,11)12)25-23-28-27(21-18-16-17-19-22-31(34)37-40(7,8)9)29(33-35-14-2)26-30(28)36-39(4,5)6/h16,18,23,25,27-28,30H,13-15,17,19-22,24,26H2,1-12H3/b18-16+,25-23+,33-29+/t27-,28-,30-,32+/m1/s1
• InChIKey: SDYVEINWPQZDCG-HHRYZPMGSA-N
• XLogP: 9.48
• TPSA: 66.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.12
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate?

The IUPAC name of trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate (CID 91749039) is trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate.

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

The canonical SMILES for trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate is CCCCC[C@@](C)(/C=C/[C@H]1[C@H](O[Si](C)(C)C)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 (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate?

The InChIKey is SDYVEINWPQZDCG-HHRYZPMGSA-N. The full InChI is InChI=1S/C32H63NO5Si3/c1-13-15-20-24-32(3,38-41(10,11)12)25-23-28-27(21-18-16-17-19-22-31(34)37-40(7,8)9)29(33-35-14-2)26-30(28)36-39(4,5)6/h16,18,23,25,27-28,30H,13-15,17,19-22,24,26H2,1-12H3/b18-16+,25-23+,33-29+/t27-,28-,30-,32+/m1/s1.

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

trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate has a molecular weight of 626.12 g/mol, XLogP of 9.48, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-ethoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate is sourced from PubChem (CID 91749039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).