2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane

C27H66O8Si4 — CID 123576942

About 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane

2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane (PubChem CID 123576942) has the molecular formula C27H66O8Si4 and a molecular weight of 631.16 g/mol. Its IUPAC name is 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane.

Molecular Properties

• Compound Name: 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane
• PubChem CID: 123576942
• Molecular Formula: C27H66O8Si4
• Molecular Weight: 631.16 g/mol
• Exact Mass: 630.38
• IUPAC Name: 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane
• SMILES: C.CCC(CO)(COOCC(CC)(CO)OCCC[Si](C)(C)O[Si](C)(C)C)OCCC[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C26H62O8Si4.CH4/c1-13-25(21-27,29-17-15-19-37(9,10)33-35(3,4)5)23-31-32-24-26(14-2,22-28)30-18-16-20-38(11,12)34-36(6,7)8;/h27-28H,13-24H2,1-12H3;1H4
• InChIKey: DAZQTWKSWPQGOU-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.16
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane?

The IUPAC name of 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane (CID 123576942) is 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane.

What is the SMILES notation for 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane?

The canonical SMILES for 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane is C.CCC(CO)(COOCC(CC)(CO)OCCC[Si](C)(C)O[Si](C)(C)C)OCCC[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane?

The InChIKey is DAZQTWKSWPQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H62O8Si4.CH4/c1-13-25(21-27,29-17-15-19-37(9,10)33-35(3,4)5)23-31-32-24-26(14-2,22-28)30-18-16-20-38(11,12)34-36(6,7)8;/h27-28H,13-24H2,1-12H3;1H4.

What are the key properties of 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane?

2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane has a molecular weight of 631.16 g/mol, XLogP of 6.78, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane is sourced from PubChem (CID 123576942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).