1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione

C29H73N3O14Si12 — CID 59545183

IUPAC1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-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[Si](C)(C)O3)c(=O)n(CCC[Si]3(C)O[Si](C)(C)O[SiH](C)O[Si](C)(C)O3)c2=O)C[Si](C)(C)O1
InChIInChI=1S/C29H73N3O14Si12/c1-47-36-49(3)42-56(14,26-52(6,7)38-47)23-17-20-30-27(33)31(21-18-24-57(15)43-50(4)37-48(2)39-53(8,9)44-57)29(35)32(28(30)34)22-19-25-58(16)45-54(10,11)40-51(5)41-55(12,13)46-58/h47-51H,17-26H2,1-16H3
InChIKeyJIXBXJDTRRCYTQ-UHFFFAOYSA-N
MW1024.94 g/mol
LogP3.39
Rot. Bonds12

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

1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 59545183) has the molecular formula C29H73N3O14Si12 and a molecular weight of 1024.94 g/mol. Its IUPAC name is 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID59545183
Molecular FormulaC29H73N3O14Si12
Molecular Weight1024.94 g/mol
Exact Mass1023.23
IUPAC Name1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-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[Si](C)(C)O3)c(=O)n(CCC[Si]3(C)O[Si](C)(C)O[SiH](C)O[Si](C)(C)O3)c2=O)C[Si](C)(C)O1
InChIInChI=1S/C29H73N3O14Si12/c1-47-36-49(3)42-56(14,26-52(6,7)38-47)23-17-20-30-27(33)31(21-18-24-57(15)43-50(4)37-48(2)39-53(8,9)44-57)29(35)32(28(30)34)22-19-25-58(16)45-54(10,11)40-51(5)41-55(12,13)46-58/h47-51H,17-26H2,1-16H3
InChIKeyJIXBXJDTRRCYTQ-UHFFFAOYSA-N
XLogP3.39
TPSA167.53 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.94
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 59545183) is 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-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[Si](C)(C)O3)c(=O)n(CCC[Si]3(C)O[Si](C)(C)O[SiH](C)O[Si](C)(C)O3)c2=O)C[Si](C)(C)O1.
What is the InChIKey of 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JIXBXJDTRRCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H73N3O14Si12/c1-47-36-49(3)42-56(14,26-52(6,7)38-47)23-17-20-30-27(33)31(21-18-24-57(15)43-50(4)37-48(2)39-53(8,9)44-57)29(35)32(28(30)34)22-19-25-58(16)45-54(10,11)40-51(5)41-55(12,13)46-58/h47-51H,17-26H2,1-16H3.
What are the key properties of 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1024.94 g/mol, XLogP of 3.39, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-3-[3-(2,4,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-[3-(2,4,6,8,8-pentamethyl-1,3,5,2,4,6,8-trioxatetrasilocan-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59545183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).