1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione

C33H69N3O12Si3 — CID 140956234

IUPAC1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)O[Si](Cn1c(=O)n(C[Si](OC(C)C)(OC(C)C)OC(C)C)c(=O)n(C[Si](OC(C)C)(OC(C)C)OC(C)C)c1=O)(OC(C)C)OC(C)C
InChIInChI=1S/C33H69N3O12Si3/c1-22(2)40-49(41-23(3)4,42-24(5)6)19-34-31(37)35(20-50(43-25(7)8,44-26(9)10)45-27(11)12)33(39)36(32(34)38)21-51(46-28(13)14,47-29(15)16)48-30(17)18/h22-30H,19-21H2,1-18H3
InChIKeyHAEFEVFVTXWVGQ-UHFFFAOYSA-N
MW784.18 g/mol
LogP4.43
Rot. Bonds24

About 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 140956234) has the molecular formula C33H69N3O12Si3 and a molecular weight of 784.18 g/mol. Its IUPAC name is 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID140956234
Molecular FormulaC33H69N3O12Si3
Molecular Weight784.18 g/mol
Exact Mass783.42
IUPAC Name1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)O[Si](Cn1c(=O)n(C[Si](OC(C)C)(OC(C)C)OC(C)C)c(=O)n(C[Si](OC(C)C)(OC(C)C)OC(C)C)c1=O)(OC(C)C)OC(C)C
InChIInChI=1S/C33H69N3O12Si3/c1-22(2)40-49(41-23(3)4,42-24(5)6)19-34-31(37)35(20-50(43-25(7)8,44-26(9)10)45-27(11)12)33(39)36(32(34)38)21-51(46-28(13)14,47-29(15)16)48-30(17)18/h22-30H,19-21H2,1-18H3
InChIKeyHAEFEVFVTXWVGQ-UHFFFAOYSA-N
XLogP4.43
TPSA149.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.18
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione (CID 140956234) is 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione is CC(C)O[Si](Cn1c(=O)n(C[Si](OC(C)C)(OC(C)C)OC(C)C)c(=O)n(C[Si](OC(C)C)(OC(C)C)OC(C)C)c1=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HAEFEVFVTXWVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69N3O12Si3/c1-22(2)40-49(41-23(3)4,42-24(5)6)19-34-31(37)35(20-50(43-25(7)8,44-26(9)10)45-27(11)12)33(39)36(32(34)38)21-51(46-28(13)14,47-29(15)16)48-30(17)18/h22-30H,19-21H2,1-18H3.
What are the key properties of 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 784.18 g/mol, XLogP of 4.43, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 140956234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).