1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione

C32H49N3O3Si4 — CID 177125291

About 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione

1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 177125291) has the molecular formula C32H49N3O3Si4 and a molecular weight of 636.11 g/mol. Its IUPAC name is 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 177125291
• Molecular Formula: C32H49N3O3Si4
• Molecular Weight: 636.11 g/mol
• Exact Mass: 635.29
• IUPAC Name: 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
• SMILES: C=C(C)[Si](C)(C)c1ccc([Si](C)(C)Cn2c(=O)n(C)c(=O)n(C[Si](C)(C)c3ccc([Si](C)(C)C(=C)C)cc3)c2=O)cc1
• InChI: InChI=1S/C32H49N3O3Si4/c1-24(2)41(10,11)28-18-14-26(15-19-28)39(6,7)22-34-30(36)33(5)31(37)35(32(34)38)23-40(8,9)27-16-20-29(21-17-27)42(12,13)25(3)4/h14-21H,1,3,22-23H2,2,4-13H3
• InChIKey: FBETXJZLNCIDFD-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 66.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.11
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 177125291) is 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione is C=C(C)[Si](C)(C)c1ccc([Si](C)(C)Cn2c(=O)n(C)c(=O)n(C[Si](C)(C)c3ccc([Si](C)(C)C(=C)C)cc3)c2=O)cc1.

What is the InChIKey of 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?

The InChIKey is FBETXJZLNCIDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N3O3Si4/c1-24(2)41(10,11)28-18-14-26(15-19-28)39(6,7)22-34-30(36)33(5)31(37)35(32(34)38)23-40(8,9)27-16-20-29(21-17-27)42(12,13)25(3)4/h14-21H,1,3,22-23H2,2,4-13H3.

What are the key properties of 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?

1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 636.11 g/mol, XLogP of 3.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 177125291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).