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

C54H105N9O27Si6 — CID 160608875

IUPAC1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCC[Si](OC)(OC)OC)c1=O.C=CCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O.CO[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C21H45N3O12Si3.C18H35N3O9Si2.C15H25N3O6Si/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9;1-8-11-19-16(22)20(12-9-14-31(25-2,26-3)27-4)18(24)21(17(19)23)13-10-15-32(28-5,29-6)30-7;1-6-9-16-13(19)17(10-7-2)15(21)18(14(16)20)11-8-12-25(22-3,23-4)24-5/h10-18H2,1-9H3;8H,1,9-15H2,2-7H3;6-7H,1-2,8-12H2,3-5H3
InChIKeyRFFZOXXBJXBCLC-UHFFFAOYSA-N
MW1480.99 g/mol
LogP-0.32
Rot. Bonds48

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

1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 160608875) has the molecular formula C54H105N9O27Si6 and a molecular weight of 1480.99 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID160608875
Molecular FormulaC54H105N9O27Si6
Molecular Weight1480.99 g/mol
Exact Mass1479.57
IUPAC Name1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCC[Si](OC)(OC)OC)c1=O.C=CCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O.CO[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C21H45N3O12Si3.C18H35N3O9Si2.C15H25N3O6Si/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9;1-8-11-19-16(22)20(12-9-14-31(25-2,26-3)27-4)18(24)21(17(19)23)13-10-15-32(28-5,29-6)30-7;1-6-9-16-13(19)17(10-7-2)15(21)18(14(16)20)11-8-12-25(22-3,23-4)24-5/h10-18H2,1-9H3;8H,1,9-15H2,2-7H3;6-7H,1-2,8-12H2,3-5H3
InChIKeyRFFZOXXBJXBCLC-UHFFFAOYSA-N
XLogP-0.32
TPSA364.14 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001480.99
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 160608875) is 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCC[Si](OC)(OC)OC)c1=O.C=CCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O.CO[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC.
What is the InChIKey of 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is RFFZOXXBJXBCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O12Si3.C18H35N3O9Si2.C15H25N3O6Si/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9;1-8-11-19-16(22)20(12-9-14-31(25-2,26-3)27-4)18(24)21(17(19)23)13-10-15-32(28-5,29-6)30-7;1-6-9-16-13(19)17(10-7-2)15(21)18(14(16)20)11-8-12-25(22-3,23-4)24-5/h10-18H2,1-9H3;8H,1,9-15H2,2-7H3;6-7H,1-2,8-12H2,3-5H3.
What are the key properties of 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1480.99 g/mol, XLogP of -0.32, 48 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 160608875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).