methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane

C33H61N3O6Si4 — CID 159180878

About methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane

methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane (PubChem CID 159180878) has the molecular formula C33H61N3O6Si4 and a molecular weight of 708.21 g/mol. Its IUPAC name is methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane.

Molecular Properties

• Compound Name: methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane
• PubChem CID: 159180878
• Molecular Formula: C33H61N3O6Si4
• Molecular Weight: 708.21 g/mol
• Exact Mass: 707.36
• IUPAC Name: methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane
• SMILES: C.C.C.C.C=CCn1c(=O)n(C)c(=O)n(CC=C)c1=O.C[SiH](O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H32O3Si4.C10H13N3O3.4CH4/c1-23(20-24(2,3)4)21-26(22-25(5,6)7,18-14-10-8-11-15-18)19-16-12-9-13-17-19;1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16;;;;/h8-17,23H,1-7H3;4-5H,1-2,6-7H2,3H3;4*1H4
• InChIKey: KMWJOZSMDOOLKP-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 93.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.21
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane?

The IUPAC name of methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane (CID 159180878) is methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane.

What is the SMILES notation for methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane?

The canonical SMILES for methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane is C.C.C.C.C=CCn1c(=O)n(C)c(=O)n(CC=C)c1=O.C[SiH](O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(c1ccccc1)c1ccccc1.

What is the InChIKey of methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane?

The InChIKey is KMWJOZSMDOOLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3Si4.C10H13N3O3.4CH4/c1-23(20-24(2,3)4)21-26(22-25(5,6)7,18-14-10-8-11-15-18)19-16-12-9-13-17-19;1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16;;;;/h8-17,23H,1-7H3;4-5H,1-2,6-7H2,3H3;4*1H4.

What are the key properties of methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane?

methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane has a molecular weight of 708.21 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane is sourced from PubChem (CID 159180878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).