1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C54H76N12O12 — CID 157488665

About 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 157488665) has the molecular formula C54H76N12O12 and a molecular weight of 1085.27 g/mol. Its IUPAC name is 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 157488665
• Molecular Formula: C54H76N12O12
• Molecular Weight: 1085.27 g/mol
• Exact Mass: 1084.57
• IUPAC Name: 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC(=C)C)c1=O.C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC(C)C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCC)c1=O
• InChI: InChI=1S/C15H23N3O3.C15H21N3O3.C12H17N3O3.C12H15N3O3/c2*1-10(2)7-16-13(19)17(8-11(3)4)15(21)18(14(16)20)9-12(5)6;2*1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h12H,1,3,7-9H2,2,4-6H3;1,3,5,7-9H2,2,4,6H3;4-5H,1-2,6-9H2,3H3;4-6H,1-3,7-9H2
• InChIKey: BWZYQXXTWQWFQT-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 264.00 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.27
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 157488665) is 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC(=C)C)c1=O.C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC(C)C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCC)c1=O.

What is the InChIKey of 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is BWZYQXXTWQWFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.C15H21N3O3.C12H17N3O3.C12H15N3O3/c2*1-10(2)7-16-13(19)17(8-11(3)4)15(21)18(14(16)20)9-12(5)6;2*1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h12H,1,3,7-9H2,2,4-6H3;1,3,5,7-9H2,2,4,6H3;4-5H,1-2,6-9H2,3H3;4-6H,1-3,7-9H2.

What are the key properties of 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1085.27 g/mol, XLogP of 1.56, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 157488665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).