1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione

C36H51N3O6Si3 — CID 68657802

IUPAC1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCC(n1c(=O)n(C(CC)[Si](C)(OC)c2ccccc2)c(=O)n(C(CC)[Si](C)(OC)c2ccccc2)c1=O)[Si](C)(OC)c1ccccc1
InChIInChI=1S/C36H51N3O6Si3/c1-10-31(46(7,43-4)28-22-16-13-17-23-28)37-34(40)38(32(11-2)47(8,44-5)29-24-18-14-19-25-29)36(42)39(35(37)41)33(12-3)48(9,45-6)30-26-20-15-21-27-30/h13-27,31-33H,10-12H2,1-9H3
InChIKeyOWMSFDGZDMKWJM-UHFFFAOYSA-N
MW706.08 g/mol
LogP4.03
Rot. Bonds15

About 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 68657802) has the molecular formula C36H51N3O6Si3 and a molecular weight of 706.08 g/mol. Its IUPAC name is 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID68657802
Molecular FormulaC36H51N3O6Si3
Molecular Weight706.08 g/mol
Exact Mass705.31
IUPAC Name1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCC(n1c(=O)n(C(CC)[Si](C)(OC)c2ccccc2)c(=O)n(C(CC)[Si](C)(OC)c2ccccc2)c1=O)[Si](C)(OC)c1ccccc1
InChIInChI=1S/C36H51N3O6Si3/c1-10-31(46(7,43-4)28-22-16-13-17-23-28)37-34(40)38(32(11-2)47(8,44-5)29-24-18-14-19-25-29)36(42)39(35(37)41)33(12-3)48(9,45-6)30-26-20-15-21-27-30/h13-27,31-33H,10-12H2,1-9H3
InChIKeyOWMSFDGZDMKWJM-UHFFFAOYSA-N
XLogP4.03
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.08
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-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

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 68657802) is 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is CCC(n1c(=O)n(C(CC)[Si](C)(OC)c2ccccc2)c(=O)n(C(CC)[Si](C)(OC)c2ccccc2)c1=O)[Si](C)(OC)c1ccccc1.
What is the InChIKey of 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is OWMSFDGZDMKWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N3O6Si3/c1-10-31(46(7,43-4)28-22-16-13-17-23-28)37-34(40)38(32(11-2)47(8,44-5)29-24-18-14-19-25-29)36(42)39(35(37)41)33(12-3)48(9,45-6)30-26-20-15-21-27-30/h13-27,31-33H,10-12H2,1-9H3.
What are the key properties of 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 706.08 g/mol, XLogP of 4.03, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 68657802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).