1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

C14H27N3O6Si — CID 71086633

IUPAC1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](CCCn1c(=O)n(C)c(=O)n(C)c1=O)(OCC)OCC
InChIInChI=1S/C14H27N3O6Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-17-13(19)15(4)12(18)16(5)14(17)20/h6-11H2,1-5H3
InChIKeySFSBSFPYJFVFCT-UHFFFAOYSA-N
MW361.47 g/mol
LogP-0.32
Rot. Bonds10

About 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 71086633) has the molecular formula C14H27N3O6Si and a molecular weight of 361.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID71086633
Molecular FormulaC14H27N3O6Si
Molecular Weight361.47 g/mol
Exact Mass361.17
IUPAC Name1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](CCCn1c(=O)n(C)c(=O)n(C)c1=O)(OCC)OCC
InChIInChI=1S/C14H27N3O6Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-17-13(19)15(4)12(18)16(5)14(17)20/h6-11H2,1-5H3
InChIKeySFSBSFPYJFVFCT-UHFFFAOYSA-N
XLogP-0.32
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 71086633) is 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is CCO[Si](CCCn1c(=O)n(C)c(=O)n(C)c1=O)(OCC)OCC.
What is the InChIKey of 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SFSBSFPYJFVFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O6Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-17-13(19)15(4)12(18)16(5)14(17)20/h6-11H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 361.47 g/mol, XLogP of -0.32, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 71086633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).