trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate

C32H68O6Si4 — CID 5378607

About trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate

trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate (PubChem CID 5378607) has the molecular formula C32H68O6Si4 and a molecular weight of 661.23 g/mol. Its IUPAC name is trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate.

Molecular Properties

• Compound Name: trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate
• PubChem CID: 5378607
• Molecular Formula: C32H68O6Si4
• Molecular Weight: 661.23 g/mol
• Exact Mass: 660.41
• IUPAC Name: trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate
• SMILES: CCCCCC(/C=C/C1OC(C(CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)CC1O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C32H68O6Si4/c1-14-15-18-21-27(35-39(2,3)4)24-25-28-31(37-41(8,9)10)26-30(34-28)29(36-40(5,6)7)22-19-16-17-20-23-32(33)38-42(11,12)13/h24-25,27-31H,14-23,26H2,1-13H3/b25-24+
• InChIKey: JWPWGYIHKMLMOW-OCOZRVBESA-N
• XLogP: 9.66
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.23
LogP ≤ 5	9.66
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate?

The IUPAC name of trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate (CID 5378607) is trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate.

What is the SMILES notation for trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate?

The canonical SMILES for trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate is CCCCCC(/C=C/C1OC(C(CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)CC1O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate?

The InChIKey is JWPWGYIHKMLMOW-OCOZRVBESA-N. The full InChI is InChI=1S/C32H68O6Si4/c1-14-15-18-21-27(35-39(2,3)4)24-25-28-31(37-41(8,9)10)26-30(34-28)29(36-40(5,6)7)22-19-16-17-20-23-32(33)38-42(11,12)13/h24-25,27-31H,14-23,26H2,1-13H3/b25-24+.

What are the key properties of trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate?

trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate has a molecular weight of 661.23 g/mol, XLogP of 9.66, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate is sourced from PubChem (CID 5378607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).