1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione

C21H42N2O9Si2 — CID 139241226

IUPAC1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione
SMILESCCO[Si](CCCN1C(=O)C(=O)N(CCC[Si](OCC)(OCC)OCC)C1=O)(OCC)OCC
InChIInChI=1S/C21H42N2O9Si2/c1-7-27-33(28-8-2,29-9-3)17-13-15-22-19(24)20(25)23(21(22)26)16-14-18-34(30-10-4,31-11-5)32-12-6/h7-18H2,1-6H3
InChIKeyGXGFVUAAMPKGHL-UHFFFAOYSA-N
MW522.74 g/mol
LogP2.65
Rot. Bonds20

About 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione

1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione (PubChem CID 139241226) has the molecular formula C21H42N2O9Si2 and a molecular weight of 522.74 g/mol. Its IUPAC name is 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione
PubChem CID139241226
Molecular FormulaC21H42N2O9Si2
Molecular Weight522.74 g/mol
Exact Mass522.24
IUPAC Name1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione
SMILESCCO[Si](CCCN1C(=O)C(=O)N(CCC[Si](OCC)(OCC)OCC)C1=O)(OCC)OCC
InChIInChI=1S/C21H42N2O9Si2/c1-7-27-33(28-8-2,29-9-3)17-13-15-22-19(24)20(25)23(21(22)26)16-14-18-34(30-10-4,31-11-5)32-12-6/h7-18H2,1-6H3
InChIKeyGXGFVUAAMPKGHL-UHFFFAOYSA-N
XLogP2.65
TPSA113.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.74
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione (CID 139241226) is 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione is CCO[Si](CCCN1C(=O)C(=O)N(CCC[Si](OCC)(OCC)OCC)C1=O)(OCC)OCC.
What is the InChIKey of 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is GXGFVUAAMPKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O9Si2/c1-7-27-33(28-8-2,29-9-3)17-13-15-22-19(24)20(25)23(21(22)26)16-14-18-34(30-10-4,31-11-5)32-12-6/h7-18H2,1-6H3.
What are the key properties of 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione?
1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 522.74 g/mol, XLogP of 2.65, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-triethoxysilylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 139241226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).