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

C28H64FN3O11Si6 — CID 176847657

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

1,3-bis[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847657) has the molecular formula C28H64FN3O11Si6 and a molecular weight of 806.34 g/mol. Its IUPAC name is 1,3-bis[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 176847657
• Molecular Formula: C28H64FN3O11Si6
• Molecular Weight: 806.34 g/mol
• Exact Mass: 805.31
• IUPAC Name: 1,3-bis[2-[[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)C(C)Cn1c(=O)n(CF)c(=O)n(CC(C)[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)c1=O)(OC)OC
• InChI: InChI=1S/C28H64FN3O11Si6/c1-24(46(13,14)42-44(9,10)17-19-48(36-3,37-4)38-5)21-30-26(33)31(28(35)32(23-29)27(30)34)22-25(2)47(15,16)43-45(11,12)18-20-49(39-6,40-7)41-8/h24-25H,17-23H2,1-16H3
• InChIKey: AYFMPCCZGUYDOQ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 139.84 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• 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[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (CID 176847657) is 1,3-bis[2-[[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[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1,3-bis[2-[[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)C(C)Cn1c(=O)n(CF)c(=O)n(CC(C)[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)c1=O)(OC)OC.

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

The InChIKey is AYFMPCCZGUYDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H64FN3O11Si6/c1-24(46(13,14)42-44(9,10)17-19-48(36-3,37-4)38-5)21-30-26(33)31(28(35)32(23-29)27(30)34)22-25(2)47(15,16)43-45(11,12)18-20-49(39-6,40-7)41-8/h24-25H,17-23H2,1-16H3.

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

1,3-bis[2-[[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, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).