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

C28H64FN3O11Si6 — CID 176847572

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

1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847572) has the molecular formula C28H64FN3O11Si6 and a molecular weight of 806.34 g/mol. Its IUPAC name is 1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 176847572
• Molecular Formula: C28H64FN3O11Si6
• Molecular Weight: 806.34 g/mol
• Exact Mass: 805.31
• IUPAC Name: 1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: CO[Si](CC[Si](C)(C)O[Si](C)(C)CCCn1c(=O)n(CF)c(=O)n(CCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)c1=O)(OC)OC
• InChI: InChI=1S/C28H64FN3O11Si6/c1-36-48(37-2,38-3)23-21-46(11,12)42-44(7,8)19-15-17-30-26(33)31(28(35)32(25-29)27(30)34)18-16-20-45(9,10)43-47(13,14)22-24-49(39-4,40-5)41-6/h15-25H2,1-14H3
• InChIKey: JCDICMNLHUBKGI-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 139.84 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.34
LogP ≤ 5	4.49
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[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (CID 176847572) is 1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione.

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

The canonical SMILES for 1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione is CO[Si](CC[Si](C)(C)O[Si](C)(C)CCCn1c(=O)n(CF)c(=O)n(CCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)c1=O)(OC)OC.

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

The InChIKey is JCDICMNLHUBKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H64FN3O11Si6/c1-36-48(37-2,38-3)23-21-46(11,12)42-44(7,8)19-15-17-30-26(33)31(28(35)32(25-29)27(30)34)18-16-20-45(9,10)43-47(13,14)22-24-49(39-4,40-5)41-6/h15-25H2,1-14H3.

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

1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 806.34 g/mol, XLogP of 4.49, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).