1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione

C30H63N3O3Si3 — CID 156761756

IUPAC1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCC(n1c(=O)n(C(CC)[Si](CC)(CC)CC)c(=O)n(C(CC)[Si](CC)(CC)CC)c1=O)[Si](CC)(CC)CC
InChIInChI=1S/C30H63N3O3Si3/c1-13-25(37(16-4,17-5)18-6)31-28(34)32(26(14-2)38(19-7,20-8)21-9)30(36)33(29(31)35)27(15-3)39(22-10,23-11)24-12/h25-27H,13-24H2,1-12H3
InChIKeySHSYFEZWZYVROG-UHFFFAOYSA-N
MW598.11 g/mol
LogP8.17
Rot. Bonds18

About 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 156761756) has the molecular formula C30H63N3O3Si3 and a molecular weight of 598.11 g/mol. Its IUPAC name is 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID156761756
Molecular FormulaC30H63N3O3Si3
Molecular Weight598.11 g/mol
Exact Mass597.42
IUPAC Name1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCC(n1c(=O)n(C(CC)[Si](CC)(CC)CC)c(=O)n(C(CC)[Si](CC)(CC)CC)c1=O)[Si](CC)(CC)CC
InChIInChI=1S/C30H63N3O3Si3/c1-13-25(37(16-4,17-5)18-6)31-28(34)32(26(14-2)38(19-7,20-8)21-9)30(36)33(29(31)35)27(15-3)39(22-10,23-11)24-12/h25-27H,13-24H2,1-12H3
InChIKeySHSYFEZWZYVROG-UHFFFAOYSA-N
XLogP8.17
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.11
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tris(3-(trimethoxysilyl)propyl) isocyanurate
CID 117734
Tris-(trimethoxysilylpropyl)isocyanurate
CID 69111220
Tris(triethoxysilylpropyl) isocyanurate
CID 140463927
1,3,5-Tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 174136093
1,3,5-Tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 174136190
1,3,5-Tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 174136361
1,3-Bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847520
1,3-Bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847572
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
1,3-Bis[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847657
1,3-Bis[3-[2-[dimethyl(3-trimethoxysilylpropyl)silyl]ethyl-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 177125316
1-(1-Fluoro-3-trimethoxysilylpropyl)-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 178076951

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 156761756) is 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione is CCC(n1c(=O)n(C(CC)[Si](CC)(CC)CC)c(=O)n(C(CC)[Si](CC)(CC)CC)c1=O)[Si](CC)(CC)CC.
What is the InChIKey of 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SHSYFEZWZYVROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N3O3Si3/c1-13-25(37(16-4,17-5)18-6)31-28(34)32(26(14-2)38(19-7,20-8)21-9)30(36)33(29(31)35)27(15-3)39(22-10,23-11)24-12/h25-27H,13-24H2,1-12H3.
What are the key properties of 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 598.11 g/mol, XLogP of 8.17, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 156761756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).