trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate

C27H51NO4Si2 — CID 177404290

About trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate

trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate (PubChem CID 177404290) has the molecular formula C27H51NO4Si2 and a molecular weight of 509.88 g/mol. Its IUPAC name is trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate.

Molecular Properties

• Compound Name: trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate
• PubChem CID: 177404290
• Molecular Formula: C27H51NO4Si2
• Molecular Weight: 509.88 g/mol
• Exact Mass: 509.34
• IUPAC Name: trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate
• SMILES: CCCCC[C@@H](/C=C/C1=C(CCCCCCC(=O)O[Si](C)(C)C)/C(=N/OC)CC1)O[Si](C)(C)C
• InChI: InChI=1S/C27H51NO4Si2/c1-9-10-13-16-24(31-33(3,4)5)21-19-23-20-22-26(28-30-2)25(23)17-14-11-12-15-18-27(29)32-34(6,7)8/h19,21,24H,9-18,20,22H2,1-8H3/b21-19+,28-26+/t24-/m0/s1
• InChIKey: ZGUGYUAUEGQMTR-KAIXDMJNSA-N
• XLogP: 8.15
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.88
LogP ≤ 5	8.15
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate?

The IUPAC name of trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate (CID 177404290) is trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate.

What is the SMILES notation for trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate?

The canonical SMILES for trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate is CCCCC[C@@H](/C=C/C1=C(CCCCCCC(=O)O[Si](C)(C)C)/C(=N/OC)CC1)O[Si](C)(C)C.

What is the InChIKey of trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate?

The InChIKey is ZGUGYUAUEGQMTR-KAIXDMJNSA-N. The full InChI is InChI=1S/C27H51NO4Si2/c1-9-10-13-16-24(31-33(3,4)5)21-19-23-20-22-26(28-30-2)25(23)17-14-11-12-15-18-27(29)32-34(6,7)8/h19,21,24H,9-18,20,22H2,1-8H3/b21-19+,28-26+/t24-/m0/s1.

What are the key properties of trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate?

trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate has a molecular weight of 509.88 g/mol, XLogP of 8.15, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate is sourced from PubChem (CID 177404290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).