2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate

C30H60N6O18Si3 — CID 59824458

About 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate

2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate (PubChem CID 59824458) has the molecular formula C30H60N6O18Si3 and a molecular weight of 877.09 g/mol. Its IUPAC name is 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate.

Molecular Properties

• Compound Name: 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate
• PubChem CID: 59824458
• Molecular Formula: C30H60N6O18Si3
• Molecular Weight: 877.09 g/mol
• Exact Mass: 876.33
• IUPAC Name: 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate
• SMILES: CO[Si](CCCNC(=O)OCCn1c(=O)n(CCOC(=O)NCCC[Si](OC)(OC)OC)c(=O)n(CCOC(=O)NCCC[Si](OC)(OC)OC)c1=O)(OC)OC
• InChI: InChI=1S/C30H60N6O18Si3/c1-43-55(44-2,45-3)22-10-13-31-25(37)52-19-16-34-28(40)35(17-20-53-26(38)32-14-11-23-56(46-4,47-5)48-6)30(42)36(29(34)41)18-21-54-27(39)33-15-12-24-57(49-7,50-8)51-9/h10-24H2,1-9H3,(H,31,37)(H,32,38)(H,33,39)
• InChIKey: CNZMZYBVSSYYFO-UHFFFAOYSA-N
• XLogP: -0.85
• TPSA: 264.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.09
LogP ≤ 5	-0.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate?

The IUPAC name of 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate (CID 59824458) is 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate.

What is the SMILES notation for 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate?

The canonical SMILES for 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate is CO[Si](CCCNC(=O)OCCn1c(=O)n(CCOC(=O)NCCC[Si](OC)(OC)OC)c(=O)n(CCOC(=O)NCCC[Si](OC)(OC)OC)c1=O)(OC)OC.

What is the InChIKey of 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate?

The InChIKey is CNZMZYBVSSYYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N6O18Si3/c1-43-55(44-2,45-3)22-10-13-31-25(37)52-19-16-34-28(40)35(17-20-53-26(38)32-14-11-23-56(46-4,47-5)48-6)30(42)36(29(34)41)18-21-54-27(39)33-15-12-24-57(49-7,50-8)51-9/h10-24H2,1-9H3,(H,31,37)(H,32,38)(H,33,39).

What are the key properties of 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate?

2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate has a molecular weight of 877.09 g/mol, XLogP of -0.85, 30 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate is sourced from PubChem (CID 59824458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).