1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione

C25H45N3O3Si — CID 153322078

About 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 153322078) has the molecular formula C25H45N3O3Si and a molecular weight of 463.74 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 153322078
• Molecular Formula: C25H45N3O3Si
• Molecular Weight: 463.74 g/mol
• Exact Mass: 463.32
• IUPAC Name: 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: C=CCn1c(=O)n(CC=C)c(=O)n(C[Si](CCCCC)(CCCCC)CCCCC)c1=O
• InChI: InChI=1S/C25H45N3O3Si/c1-6-11-14-19-32(20-15-12-7-2,21-16-13-8-3)22-28-24(30)26(17-9-4)23(29)27(18-10-5)25(28)31/h9-10H,4-8,11-22H2,1-3H3
• InChIKey: SMXOYXSGDSWLLB-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 66.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.74
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 153322078) is 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(C[Si](CCCCC)(CCCCC)CCCCC)c1=O.

What is the InChIKey of 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is SMXOYXSGDSWLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N3O3Si/c1-6-11-14-19-32(20-15-12-7-2,21-16-13-8-3)22-28-24(30)26(17-9-4)23(29)27(18-10-5)25(28)31/h9-10H,4-8,11-22H2,1-3H3.

What are the key properties of 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?

1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 463.74 g/mol, XLogP of 5.10, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 153322078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).