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

C30H68FN3O11Si6 — CID 176847520

IUPAC1,3-bis[3-[[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)CCCn1c(=O)n(CF)c(=O)n(CCC[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C30H68FN3O11Si6/c1-38-50(39-2,40-3)25-17-23-48(11,12)44-46(7,8)21-15-19-32-28(35)33(30(37)34(27-31)29(32)36)20-16-22-47(9,10)45-49(13,14)24-18-26-51(41-4,42-5)43-6/h15-27H2,1-14H3
InChIKeySSXSMOKNRHVGMX-UHFFFAOYSA-N
MW834.40 g/mol
LogP5.27
Rot. Bonds27

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

1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847520) has the molecular formula C30H68FN3O11Si6 and a molecular weight of 834.40 g/mol. Its IUPAC name is 1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID176847520
Molecular FormulaC30H68FN3O11Si6
Molecular Weight834.40 g/mol
Exact Mass833.35
IUPAC Name1,3-bis[3-[[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)CCCn1c(=O)n(CF)c(=O)n(CCC[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C30H68FN3O11Si6/c1-38-50(39-2,40-3)25-17-23-48(11,12)44-46(7,8)21-15-19-32-28(35)33(30(37)34(27-31)29(32)36)20-16-22-47(9,10)45-49(13,14)24-18-26-51(41-4,42-5)43-6/h15-27H2,1-14H3
InChIKeySSXSMOKNRHVGMX-UHFFFAOYSA-N
XLogP5.27
TPSA139.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.40
LogP ≤ 55.27
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 1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione (CID 176847520) is 1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)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(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis[3-[[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)CCCn1c(=O)n(CF)c(=O)n(CCC[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)c1=O)(OC)OC.
What is the InChIKey of 1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SSXSMOKNRHVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H68FN3O11Si6/c1-38-50(39-2,40-3)25-17-23-48(11,12)44-46(7,8)21-15-19-32-28(35)33(30(37)34(27-31)29(32)36)20-16-22-47(9,10)45-49(13,14)24-18-26-51(41-4,42-5)43-6/h15-27H2,1-14H3.
What are the key properties of 1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 834.40 g/mol, XLogP of 5.27, 27 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(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).