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

C31H61NO5Si3 — CID 91749040

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

trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-methoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate (PubChem CID 91749040) has the molecular formula C31H61NO5Si3 and a molecular weight of 612.09 g/mol. Its IUPAC name is trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-methoxyimino-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-methoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate
• PubChem CID: 91749040
• Molecular Formula: C31H61NO5Si3
• Molecular Weight: 612.09 g/mol
• Exact Mass: 611.39
• IUPAC Name: trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-methoxyimino-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\OC)[C@@H]1C/C=C/CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C31H61NO5Si3/c1-13-14-19-23-31(2,37-40(10,11)12)24-22-27-26(28(32-34-3)25-29(27)35-38(4,5)6)20-17-15-16-18-21-30(33)36-39(7,8)9/h15,17,22,24,26-27,29H,13-14,16,18-21,23,25H2,1-12H3/b17-15+,24-22+,32-28+/t26-,27-,29-,31+/m1/s1
• InChIKey: XQFHPVCJGCPJIN-DRKJBQGISA-N
• XLogP: 9.09
• TPSA: 66.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• 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 (E)-7-[(1R,2R,3R,5E)-5-methoxyimino-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-methoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate (CID 91749040) is trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-methoxyimino-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-methoxyimino-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-methoxyimino-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\OC)[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-methoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate?

The InChIKey is XQFHPVCJGCPJIN-DRKJBQGISA-N. The full InChI is InChI=1S/C31H61NO5Si3/c1-13-14-19-23-31(2,37-40(10,11)12)24-22-27-26(28(32-34-3)25-29(27)35-38(4,5)6)20-17-15-16-18-21-30(33)36-39(7,8)9/h15,17,22,24,26-27,29H,13-14,16,18-21,23,25H2,1-12H3/b17-15+,24-22+,32-28+/t26-,27-,29-,31+/m1/s1.

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

trimethylsilyl (E)-7-[(1R,2R,3R,5E)-5-methoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate has a molecular weight of 612.09 g/mol, XLogP of 9.09, 18 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-methoxyimino-2-[(E,3S)-3-methyl-3-trimethylsilyloxyoct-1-enyl]-3-trimethylsilyloxycyclopentyl]hept-5-enoate is sourced from PubChem (CID 91749040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).