6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate

C28H58O5Si2 — CID 58645060

About 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate

6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate (PubChem CID 58645060) has the molecular formula C28H58O5Si2 and a molecular weight of 530.94 g/mol. Its IUPAC name is 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate.

Molecular Properties

• Compound Name: 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate
• PubChem CID: 58645060
• Molecular Formula: C28H58O5Si2
• Molecular Weight: 530.94 g/mol
• Exact Mass: 530.38
• IUPAC Name: 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate
• SMILES: CCCC[Si](C)(C)CCO[Si](C)(C)CCCOC(=O)C(C)C(C)CC(C)(CC)C(=O)OCC(C)C
• InChI: InChI=1S/C28H58O5Si2/c1-12-14-18-34(8,9)20-17-33-35(10,11)19-15-16-31-26(29)25(6)24(5)21-28(7,13-2)27(30)32-22-23(3)4/h23-25H,12-22H2,1-11H3
• InChIKey: JQEFJTBSSJZDPE-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.94
LogP ≤ 5	7.93
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'}

Frequently Asked Questions

What is the IUPAC name of 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate?

The IUPAC name of 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate (CID 58645060) is 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate.

What is the SMILES notation for 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate?

The canonical SMILES for 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate is CCCC[Si](C)(C)CCO[Si](C)(C)CCCOC(=O)C(C)C(C)CC(C)(CC)C(=O)OCC(C)C.

What is the InChIKey of 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate?

The InChIKey is JQEFJTBSSJZDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O5Si2/c1-12-14-18-34(8,9)20-17-33-35(10,11)19-15-16-31-26(29)25(6)24(5)21-28(7,13-2)27(30)32-22-23(3)4/h23-25H,12-22H2,1-11H3.

What are the key properties of 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate?

6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate has a molecular weight of 530.94 g/mol, XLogP of 7.93, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate is sourced from PubChem (CID 58645060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).