1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione

C30H31N3O4Si — CID 153322046

IUPAC1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(COC(C)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C30H31N3O4Si/c1-4-21-31-28(34)32(22-5-2)30(36)33(29(31)35)23-37-24(3)38(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h4-20,24H,1-2,21-23H2,3H3
InChIKeyAXACWTYNAFSWAR-UHFFFAOYSA-N
MW525.68 g/mol
LogP1.62
Rot. Bonds11

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

1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 153322046) has the molecular formula C30H31N3O4Si and a molecular weight of 525.68 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID153322046
Molecular FormulaC30H31N3O4Si
Molecular Weight525.68 g/mol
Exact Mass525.21
IUPAC Name1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(COC(C)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C30H31N3O4Si/c1-4-21-31-28(34)32(22-5-2)30(36)33(29(31)35)23-37-24(3)38(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h4-20,24H,1-2,21-23H2,3H3
InChIKeyAXACWTYNAFSWAR-UHFFFAOYSA-N
XLogP1.62
TPSA75.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.68
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 68657802
CID 153322083
CID 153322083
CID 153322096
CID 153322096
1,3-Bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 153322113
Bis(dimethylsilyloxy)-hydroxy-phenylsilane;bis[[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy]-diphenylsilane;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 157350165
Methane;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;trimethyl-[[methyl(trimethylsilyloxy)silyl]oxy-diphenylsilyl]oxysilane
CID 159180878
Bis(dimethylsilyloxy)-hydroxy-phenylsilane;bis[[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy]-diphenylsilane;1-prop-2-enyl-3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
CID 159795111
Bis(dimethylsilyloxy)-diphenylsilane;methane;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 161077787
1,3,5-Tris[3-[dibutoxy(phenyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 173566764
1,3,5-Tris[3-[dimethoxy(phenyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 173566777
1,3,5-Tris[3-[diethoxy(phenyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 173566778
1,3,5-Tris[3-[phenyl-di(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 173572221

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione (CID 153322046) is 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(COC(C)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AXACWTYNAFSWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4Si/c1-4-21-31-28(34)32(22-5-2)30(36)33(29(31)35)23-37-24(3)38(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h4-20,24H,1-2,21-23H2,3H3.
What are the key properties of 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 525.68 g/mol, XLogP of 1.62, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 153322046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).