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

C11H19N3O6 — CID 59503049

IUPAC1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCOCCn1c(=O)n(CCO)c(=O)n(CCO)c1=O
InChIInChI=1S/C11H19N3O6/c1-2-20-8-5-14-10(18)12(3-6-15)9(17)13(4-7-16)11(14)19/h15-16H,2-8H2,1H3
InChIKeyWFMSLDHOENVVCZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP-2.81
Rot. Bonds8

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

1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 59503049) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID59503049
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCOCCn1c(=O)n(CCO)c(=O)n(CCO)c1=O
InChIInChI=1S/C11H19N3O6/c1-2-20-8-5-14-10(18)12(3-6-15)9(17)13(4-7-16)11(14)19/h15-16H,2-8H2,1H3
InChIKeyWFMSLDHOENVVCZ-UHFFFAOYSA-N
XLogP-2.81
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 59503049) is 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is CCOCCn1c(=O)n(CCO)c(=O)n(CCO)c1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WFMSLDHOENVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-2-20-8-5-14-10(18)12(3-6-15)9(17)13(4-7-16)11(14)19/h15-16H,2-8H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 289.29 g/mol, XLogP of -2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59503049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).