1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione

C26H60FN3O11Si6 — CID 176847514

About 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847514) has the molecular formula C26H60FN3O11Si6 and a molecular weight of 778.29 g/mol. Its IUPAC name is 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 176847514
• Molecular Formula: C26H60FN3O11Si6
• Molecular Weight: 778.29 g/mol
• Exact Mass: 777.28
• IUPAC Name: 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: CO[Si](CCC[Si](C)(C)O[Si](C)(C)Cn1c(=O)n(CF)c(=O)n(C[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)c1=O)(OC)OC
• InChI: InChI=1S/C26H60FN3O11Si6/c1-34-46(35-2,36-3)19-15-17-42(7,8)40-44(11,12)22-29-24(31)28(21-27)25(32)30(26(29)33)23-45(13,14)41-43(9,10)18-16-20-47(37-4,38-5)39-6/h15-23H2,1-14H3
• InChIKey: UFGORMHLVTWCKA-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 139.84 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.29
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (CID 176847514) is 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione is CO[Si](CCC[Si](C)(C)O[Si](C)(C)Cn1c(=O)n(CF)c(=O)n(C[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)c1=O)(OC)OC.

What is the InChIKey of 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is UFGORMHLVTWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H60FN3O11Si6/c1-34-46(35-2,36-3)19-15-17-42(7,8)40-44(11,12)22-29-24(31)28(21-27)25(32)30(26(29)33)23-45(13,14)41-43(9,10)18-16-20-47(37-4,38-5)39-6/h15-23H2,1-14H3.

What are the key properties of 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?

1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 778.29 g/mol, XLogP of 3.57, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).