1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

C16H31N3O7Si — CID 165160455

IUPAC1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCOCCn1c(=O)[nH]c(=O)n(CCC[Si](OCC)(OCC)OCC)c1=O
InChIInChI=1S/C16H31N3O7Si/c1-5-23-12-11-19-15(21)17-14(20)18(16(19)22)10-9-13-27(24-6-2,25-7-3)26-8-4/h5-13H2,1-4H3,(H,17,20,21)
InChIKeyAYTQJRFQBFUNAD-UHFFFAOYSA-N
MW405.52 g/mol
LogP0.17
Rot. Bonds14

About 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 165160455) has the molecular formula C16H31N3O7Si and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID165160455
Molecular FormulaC16H31N3O7Si
Molecular Weight405.52 g/mol
Exact Mass405.19
IUPAC Name1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCOCCn1c(=O)[nH]c(=O)n(CCC[Si](OCC)(OCC)OCC)c1=O
InChIInChI=1S/C16H31N3O7Si/c1-5-23-12-11-19-15(21)17-14(20)18(16(19)22)10-9-13-27(24-6-2,25-7-3)26-8-4/h5-13H2,1-4H3,(H,17,20,21)
InChIKeyAYTQJRFQBFUNAD-UHFFFAOYSA-N
XLogP0.17
TPSA113.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 165160455) is 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is CCOCCn1c(=O)[nH]c(=O)n(CCC[Si](OCC)(OCC)OCC)c1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AYTQJRFQBFUNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O7Si/c1-5-23-12-11-19-15(21)17-14(20)18(16(19)22)10-9-13-27(24-6-2,25-7-3)26-8-4/h5-13H2,1-4H3,(H,17,20,21).
What are the key properties of 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 405.52 g/mol, XLogP of 0.17, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 165160455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).