1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione

C18H27N3O6 — CID 140750979

IUPAC1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCOC(C)n1c(=O)n(C(C)OCC=C)c(=O)n(C(C)OCC=C)c1=O
InChIInChI=1S/C18H27N3O6/c1-7-10-25-13(4)19-16(22)20(14(5)26-11-8-2)18(24)21(17(19)23)15(6)27-12-9-3/h7-9,13-15H,1-3,10-12H2,4-6H3
InChIKeyAIGVWDNOYZUIET-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.34
Rot. Bonds12

About 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 140750979) has the molecular formula C18H27N3O6 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID140750979
Molecular FormulaC18H27N3O6
Molecular Weight381.43 g/mol
Exact Mass381.19
IUPAC Name1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCOC(C)n1c(=O)n(C(C)OCC=C)c(=O)n(C(C)OCC=C)c1=O
InChIInChI=1S/C18H27N3O6/c1-7-10-25-13(4)19-16(22)20(14(5)26-11-8-2)18(24)21(17(19)23)15(6)27-12-9-3/h7-9,13-15H,1-3,10-12H2,4-6H3
InChIKeyAIGVWDNOYZUIET-UHFFFAOYSA-N
XLogP1.34
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 140750979) is 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione is C=CCOC(C)n1c(=O)n(C(C)OCC=C)c(=O)n(C(C)OCC=C)c1=O.
What is the InChIKey of 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AIGVWDNOYZUIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6/c1-7-10-25-13(4)19-16(22)20(14(5)26-11-8-2)18(24)21(17(19)23)15(6)27-12-9-3/h7-9,13-15H,1-3,10-12H2,4-6H3.
What are the key properties of 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 381.43 g/mol, XLogP of 1.34, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 140750979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).