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

C32H66O5Si4 — CID 5366438

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

trimethylsilyl (E)-7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate (PubChem CID 5366438) has the molecular formula C32H66O5Si4 and a molecular weight of 643.22 g/mol. Its IUPAC name is trimethylsilyl (E)-7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate.

Molecular Properties

• Compound Name: trimethylsilyl (E)-7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
• PubChem CID: 5366438
• Molecular Formula: C32H66O5Si4
• Molecular Weight: 643.22 g/mol
• Exact Mass: 642.40
• IUPAC Name: trimethylsilyl (E)-7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
• SMILES: CCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1C/C=C/CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C32H66O5Si4/c1-14-15-18-21-27(34-38(2,3)4)24-25-29-28(22-19-16-17-20-23-32(33)37-41(11,12)13)30(35-39(5,6)7)26-31(29)36-40(8,9)10/h16,19,24-25,27-31H,14-15,17-18,20-23,26H2,1-13H3/b19-16+,25-24+
• InChIKey: ZWRMXRMPDPQJCB-UWVAOJKCSA-N
• XLogP: 9.91
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.22
LogP ≤ 5	9.91
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-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate?

The IUPAC name of trimethylsilyl (E)-7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate (CID 5366438) is trimethylsilyl (E)-7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate.

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

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

The InChIKey is ZWRMXRMPDPQJCB-UWVAOJKCSA-N. The full InChI is InChI=1S/C32H66O5Si4/c1-14-15-18-21-27(34-38(2,3)4)24-25-29-28(22-19-16-17-20-23-32(33)37-41(11,12)13)30(35-39(5,6)7)26-31(29)36-40(8,9)10/h16,19,24-25,27-31H,14-15,17-18,20-23,26H2,1-13H3/b19-16+,25-24+.

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

trimethylsilyl (E)-7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate has a molecular weight of 643.22 g/mol, XLogP of 9.91, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (E)-7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate is sourced from PubChem (CID 5366438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).