bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C30H47N3O5Si3 — CID 161077787

About bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 161077787) has the molecular formula C30H47N3O5Si3 and a molecular weight of 613.98 g/mol. Its IUPAC name is bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 161077787
• Molecular Formula: C30H47N3O5Si3
• Molecular Weight: 613.98 g/mol
• Exact Mass: 613.28
• IUPAC Name: bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: C.C.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O.C[SiH](C)O[Si](O[SiH](C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H24O2Si3.C12H15N3O3.2CH4/c1-19(2)17-21(18-20(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;;/h5-14,19-20H,1-4H3;4-6H,1-3,7-9H2;2*1H4
• InChIKey: UFMYBAGLLXOLIT-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 84.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.98
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 161077787) is bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C.C.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O.C[SiH](C)O[Si](O[SiH](C)C)(c1ccccc1)c1ccccc1.

What is the InChIKey of bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is UFMYBAGLLXOLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2Si3.C12H15N3O3.2CH4/c1-19(2)17-21(18-20(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;;/h5-14,19-20H,1-4H3;4-6H,1-3,7-9H2;2*1H4.

What are the key properties of bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 613.98 g/mol, XLogP of 3.24, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 161077787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).