trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate

C29H56O5Si3 — CID 91696406

About trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate

trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate (PubChem CID 91696406) has the molecular formula C29H56O5Si3 and a molecular weight of 569.02 g/mol. Its IUPAC name is trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate.

Molecular Properties

• Compound Name: trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
• PubChem CID: 91696406
• Molecular Formula: C29H56O5Si3
• Molecular Weight: 569.02 g/mol
• Exact Mass: 568.34
• IUPAC Name: trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
• SMILES: CCCCCC(/C=C/C1C(=O)CC(O[Si](C)(C)C)C1C/C=C/CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C29H56O5Si3/c1-11-12-15-18-24(32-35(2,3)4)21-22-25-26(28(23-27(25)30)33-36(5,6)7)19-16-13-14-17-20-29(31)34-37(8,9)10/h13,16,21-22,24-26,28H,11-12,14-15,17-20,23H2,1-10H3/b16-13+,22-21+
• InChIKey: XATDHEXRHMXFAW-LBWJEKIOSA-N
• XLogP: 8.26
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.02
LogP ≤ 5	8.26
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate?

The IUPAC name of trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate (CID 91696406) is trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate.

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

The canonical SMILES for trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate is CCCCCC(/C=C/C1C(=O)CC(O[Si](C)(C)C)C1C/C=C/CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.

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

The InChIKey is XATDHEXRHMXFAW-LBWJEKIOSA-N. The full InChI is InChI=1S/C29H56O5Si3/c1-11-12-15-18-24(32-35(2,3)4)21-22-25-26(28(23-27(25)30)33-36(5,6)7)19-16-13-14-17-20-29(31)34-37(8,9)10/h13,16,21-22,24-26,28H,11-12,14-15,17-20,23H2,1-10H3/b16-13+,22-21+.

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

trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate has a molecular weight of 569.02 g/mol, XLogP of 8.26, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (E)-7-[3-oxo-5-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate is sourced from PubChem (CID 91696406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).