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

C31H61NO5Si3 — CID 20845705

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

trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate (PubChem CID 20845705) has the molecular formula C31H61NO5Si3 and a molecular weight of 612.09 g/mol. Its IUPAC name is trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate.

Molecular Properties

• Compound Name: trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
• PubChem CID: 20845705
• Molecular Formula: C31H61NO5Si3
• Molecular Weight: 612.09 g/mol
• Exact Mass: 611.39
• IUPAC Name: trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
• SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C)/C(=N/OCC)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C31H61NO5Si3/c1-12-14-17-20-26(35-38(3,4)5)23-24-28-27(21-18-15-16-19-22-31(33)37-40(9,10)11)29(32-34-13-2)25-30(28)36-39(6,7)8/h15,18,23-24,26-28,30H,12-14,16-17,19-22,25H2,1-11H3/b18-15-,24-23+,32-29+/t26-,27-,28+,30+/m0/s1
• InChIKey: AJOVLGPPFOBIEN-UKWSXVQOSA-N
• XLogP: 9.09
• TPSA: 66.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.09
LogP ≤ 5	9.09
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 (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate?

The IUPAC name of trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate (CID 20845705) is trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate.

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

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

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

The InChIKey is AJOVLGPPFOBIEN-UKWSXVQOSA-N. The full InChI is InChI=1S/C31H61NO5Si3/c1-12-14-17-20-26(35-38(3,4)5)23-24-28-27(21-18-15-16-19-22-31(33)37-40(9,10)11)29(32-34-13-2)25-30(28)36-39(6,7)8/h15,18,23-24,26-28,30H,12-14,16-17,19-22,25H2,1-11H3/b18-15-,24-23+,32-29+/t26-,27-,28+,30+/m0/s1.

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

trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate has a molecular weight of 612.09 g/mol, XLogP of 9.09, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate is sourced from PubChem (CID 20845705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).