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

C29H66FN3O11Si6 — CID 176847653

IUPAC1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](CCC[Si](C)(C)O[Si](C)(C)CCn1c(=O)n(CF)c(=O)n(CC(C)[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C29H66FN3O11Si6/c1-26(48(14,15)44-46(10,11)20-17-22-50(40-5,41-6)42-7)24-32-27(34)31(28(35)33(25-30)29(32)36)18-23-47(12,13)43-45(8,9)19-16-21-49(37-2,38-3)39-4/h26H,16-25H2,1-15H3
InChIKeyVLRWIAIQVJJDGN-UHFFFAOYSA-N
MW820.37 g/mol
LogP4.88
Rot. Bonds25

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

1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847653) has the molecular formula C29H66FN3O11Si6 and a molecular weight of 820.37 g/mol. Its IUPAC name is 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID176847653
Molecular FormulaC29H66FN3O11Si6
Molecular Weight820.37 g/mol
Exact Mass819.33
IUPAC Name1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](CCC[Si](C)(C)O[Si](C)(C)CCn1c(=O)n(CF)c(=O)n(CC(C)[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C29H66FN3O11Si6/c1-26(48(14,15)44-46(10,11)20-17-22-50(40-5,41-6)42-7)24-32-27(34)31(28(35)33(25-30)29(32)36)18-23-47(12,13)43-45(8,9)19-16-21-49(37-2,38-3)39-4/h26H,16-25H2,1-15H3
InChIKeyVLRWIAIQVJJDGN-UHFFFAOYSA-N
XLogP4.88
TPSA139.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (CID 176847653) is 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione is CO[Si](CCC[Si](C)(C)O[Si](C)(C)CCn1c(=O)n(CF)c(=O)n(CC(C)[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)c1=O)(OC)OC.
What is the InChIKey of 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VLRWIAIQVJJDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H66FN3O11Si6/c1-26(48(14,15)44-46(10,11)20-17-22-50(40-5,41-6)42-7)24-32-27(34)31(28(35)33(25-30)29(32)36)18-23-47(12,13)43-45(8,9)19-16-21-49(37-2,38-3)39-4/h26H,16-25H2,1-15H3.
What are the key properties of 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?
1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 820.37 g/mol, XLogP of 4.88, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).