1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione

C24H63N3O15Si12 — CID 59711205

IUPAC1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCCn2c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c2=O)O[SiH](C)O1
InChIInChI=1S/C24H63N3O15Si12/c1-43-31-46(4)37-52(10,38-47(5)32-43)19-13-16-25-22(28)26(17-14-20-53(11)39-48(6)33-44(2)34-49(7)40-53)24(30)27(23(25)29)18-15-21-54(12)41-50(8)35-45(3)36-51(9)42-54/h43-51H,13-21H2,1-12H3
InChIKeyWVKFLVQTCVKNOX-UHFFFAOYSA-N
MW970.81 g/mol
LogP-0.55
Rot. Bonds12

About 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 59711205) has the molecular formula C24H63N3O15Si12 and a molecular weight of 970.81 g/mol. Its IUPAC name is 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID59711205
Molecular FormulaC24H63N3O15Si12
Molecular Weight970.81 g/mol
Exact Mass969.15
IUPAC Name1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCCn2c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c2=O)O[SiH](C)O1
InChIInChI=1S/C24H63N3O15Si12/c1-43-31-46(4)37-52(10,38-47(5)32-43)19-13-16-25-22(28)26(17-14-20-53(11)39-48(6)33-44(2)34-49(7)40-53)24(30)27(23(25)29)18-15-21-54(12)41-50(8)35-45(3)36-51(9)42-54/h43-51H,13-21H2,1-12H3
InChIKeyWVKFLVQTCVKNOX-UHFFFAOYSA-N
XLogP-0.55
TPSA176.76 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.81
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 59711205) is 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione is C[SiH]1O[SiH](C)O[Si](C)(CCCn2c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c2=O)O[SiH](C)O1.
What is the InChIKey of 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WVKFLVQTCVKNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H63N3O15Si12/c1-43-31-46(4)37-52(10,38-47(5)32-43)19-13-16-25-22(28)26(17-14-20-53(11)39-48(6)33-44(2)34-49(7)40-53)24(30)27(23(25)29)18-15-21-54(12)41-50(8)35-45(3)36-51(9)42-54/h43-51H,13-21H2,1-12H3.
What are the key properties of 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 970.81 g/mol, XLogP of -0.55, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59711205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).