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

C28H27N3O3Si — CID 153322113

IUPAC1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C28H27N3O3Si/c1-3-20-29-26(32)30(21-4-2)28(34)31(27(29)33)22-35(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h3-19H,1-2,20-22H2
InChIKeyVMHMCAIPOQRGDV-UHFFFAOYSA-N
MW481.63 g/mol
LogP1.25
Rot. Bonds9

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

1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 153322113) has the molecular formula C28H27N3O3Si and a molecular weight of 481.63 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID153322113
Molecular FormulaC28H27N3O3Si
Molecular Weight481.63 g/mol
Exact Mass481.18
IUPAC Name1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C28H27N3O3Si/c1-3-20-29-26(32)30(21-4-2)28(34)31(27(29)33)22-35(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h3-19H,1-2,20-22H2
InChIKeyVMHMCAIPOQRGDV-UHFFFAOYSA-N
XLogP1.25
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-Diallyl-5-[3-(diphenylphosphino)propyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione
CID 14953667
1,3,5-Tris(3-phenylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 53856388
1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
CID 58273416
1,3,5-Tris[1-(methoxy-methyl-phenylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 68657802
1-Butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 71078798
1,3-Bis(prop-2-enyl)-5-(1-triphenylsilylethoxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 153322046
CID 153322059
CID 153322059
CID 153322071
CID 153322071
CID 153322083
CID 153322083
CID 153322096
CID 153322096
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
1,3-Bis[3-[[bis(dimethylsilyloxy)-phenylsilyl]oxy-dimethylsilyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 157847618

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 153322113) is 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VMHMCAIPOQRGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3Si/c1-3-20-29-26(32)30(21-4-2)28(34)31(27(29)33)22-35(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h3-19H,1-2,20-22H2.
What are the key properties of 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 481.63 g/mol, XLogP of 1.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 153322113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).