1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

C24H45N3O9Si2 — CID 176888594

IUPAC1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C=Cn1c(=O)n(C(CC)[Si](OCC)(OCC)OCC)c(=O)n(C(CC)[Si](OCC)(OCC)OCC)c1=O
InChIInChI=1S/C24H45N3O9Si2/c1-10-19-25-22(28)26(20(11-2)37(31-13-4,32-14-5)33-15-6)24(30)27(23(25)29)21(12-3)38(34-16-7,35-17-8)36-18-9/h19-21H,1,11-18H2,2-9H3
InChIKeyWSFBXCIHVXJFOJ-UHFFFAOYSA-N
MW575.81 g/mol
LogP2.50
Rot. Bonds19

About 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 176888594) has the molecular formula C24H45N3O9Si2 and a molecular weight of 575.81 g/mol. Its IUPAC name is 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID176888594
Molecular FormulaC24H45N3O9Si2
Molecular Weight575.81 g/mol
Exact Mass575.27
IUPAC Name1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C=Cn1c(=O)n(C(CC)[Si](OCC)(OCC)OCC)c(=O)n(C(CC)[Si](OCC)(OCC)OCC)c1=O
InChIInChI=1S/C24H45N3O9Si2/c1-10-19-25-22(28)26(20(11-2)37(31-13-4,32-14-5)33-15-6)24(30)27(23(25)29)21(12-3)38(34-16-7,35-17-8)36-18-9/h19-21H,1,11-18H2,2-9H3
InChIKeyWSFBXCIHVXJFOJ-UHFFFAOYSA-N
XLogP2.50
TPSA121.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.81
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 176888594) is 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is C=C=Cn1c(=O)n(C(CC)[Si](OCC)(OCC)OCC)c(=O)n(C(CC)[Si](OCC)(OCC)OCC)c1=O.
What is the InChIKey of 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WSFBXCIHVXJFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O9Si2/c1-10-19-25-22(28)26(20(11-2)37(31-13-4,32-14-5)33-15-6)24(30)27(23(25)29)21(12-3)38(34-16-7,35-17-8)36-18-9/h19-21H,1,11-18H2,2-9H3.
What are the key properties of 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 575.81 g/mol, XLogP of 2.50, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propa-1,2-dienyl-3,5-bis(1-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176888594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).