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

C30H62O6Si3 — CID 5377100

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

methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate (PubChem CID 5377100) has the molecular formula C30H62O6Si3 and a molecular weight of 603.08 g/mol. Its IUPAC name is methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate.

Molecular Properties

• Compound Name: methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate
• PubChem CID: 5377100
• Molecular Formula: C30H62O6Si3
• Molecular Weight: 603.08 g/mol
• Exact Mass: 602.39
• IUPAC Name: methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate
• SMILES: CCCCCC(/C=C/C1OC(C(CCCCCCC(=O)OC)O[Si](C)(C)C)CC1O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C30H62O6Si3/c1-12-13-16-19-25(34-37(3,4)5)22-23-26-29(36-39(9,10)11)24-28(33-26)27(35-38(6,7)8)20-17-14-15-18-21-30(31)32-2/h22-23,25-29H,12-21,24H2,1-11H3/b23-22+
• InChIKey: VIQZTZTYCLDMEX-GHVJWSGMSA-N
• XLogP: 8.45
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.08
LogP ≤ 5	8.45
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 methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate?

The IUPAC name of methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate (CID 5377100) is methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate.

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

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

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

The InChIKey is VIQZTZTYCLDMEX-GHVJWSGMSA-N. The full InChI is InChI=1S/C30H62O6Si3/c1-12-13-16-19-25(34-37(3,4)5)22-23-26-29(36-39(9,10)11)24-28(33-26)27(35-38(6,7)8)20-17-14-15-18-21-30(31)32-2/h22-23,25-29H,12-21,24H2,1-11H3/b23-22+.

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

methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate has a molecular weight of 603.08 g/mol, XLogP of 8.45, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]octanoate is sourced from PubChem (CID 5377100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).