trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate

C26H46O4Si2 — CID 21160102

About trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate

trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate (PubChem CID 21160102) has the molecular formula C26H46O4Si2 and a molecular weight of 478.82 g/mol. Its IUPAC name is trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate.

Molecular Properties

• Compound Name: trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate
• PubChem CID: 21160102
• Molecular Formula: C26H46O4Si2
• Molecular Weight: 478.82 g/mol
• Exact Mass: 478.29
• IUPAC Name: trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate
• SMILES: CCCCC[C@@H](/C=C/C1=C(C/C=C\CCCC(=O)O[Si](C)(C)C)C(=O)CC1)O[Si](C)(C)C
• InChI: InChI=1S/C26H46O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h10,13,18,20,23H,8-9,11-12,14-17,19,21H2,1-7H3/b13-10-,20-18+/t23-/m0/s1
• InChIKey: JZVGPLINNCXVJI-AAZGPGDFSA-N
• XLogP: 7.50
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.82
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate (CID 21160102) is trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate.

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

The canonical SMILES for trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate is CCCCC[C@@H](/C=C/C1=C(C/C=C\CCCC(=O)O[Si](C)(C)C)C(=O)CC1)O[Si](C)(C)C.

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

The InChIKey is JZVGPLINNCXVJI-AAZGPGDFSA-N. The full InChI is InChI=1S/C26H46O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h10,13,18,20,23H,8-9,11-12,14-17,19,21H2,1-7H3/b13-10-,20-18+/t23-/m0/s1.

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

trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate has a molecular weight of 478.82 g/mol, XLogP of 7.50, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate is sourced from PubChem (CID 21160102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).