4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate

C14H22N2O2Si2 — CID 10881341

IUPAC4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate
SMILESC[Si](C)(C)c1ccccc1-[n+]1noc([O-])c1[Si](C)(C)C
InChIInChI=1S/C14H22N2O2Si2/c1-19(2,3)12-10-8-7-9-11(12)16-13(20(4,5)6)14(17)18-15-16/h7-10H,1-6H3
InChIKeyQPKGZBMHSXXBOG-UHFFFAOYSA-N
MW306.51 g/mol
LogP1.12
Rot. Bonds3

About 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate

4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate (PubChem CID 10881341) has the molecular formula C14H22N2O2Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate.

Molecular Properties

Compound Name4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate
PubChem CID10881341
Molecular FormulaC14H22N2O2Si2
Molecular Weight306.51 g/mol
Exact Mass306.12
IUPAC Name4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate
SMILESC[Si](C)(C)c1ccccc1-[n+]1noc([O-])c1[Si](C)(C)C
InChIInChI=1S/C14H22N2O2Si2/c1-19(2,3)12-10-8-7-9-11(12)16-13(20(4,5)6)14(17)18-15-16/h7-10H,1-6H3
InChIKeyQPKGZBMHSXXBOG-UHFFFAOYSA-N
XLogP1.12
TPSA52.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate?
The IUPAC name of 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate (CID 10881341) is 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate.
What is the SMILES notation for 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate?
The canonical SMILES for 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate is C[Si](C)(C)c1ccccc1-[n+]1noc([O-])c1[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate?
The InChIKey is QPKGZBMHSXXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2Si2/c1-19(2,3)12-10-8-7-9-11(12)16-13(20(4,5)6)14(17)18-15-16/h7-10H,1-6H3.
What are the key properties of 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate?
4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate has a molecular weight of 306.51 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyl-3-(2-trimethylsilylphenyl)oxadiazol-3-ium-5-olate is sourced from PubChem (CID 10881341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).