trimethylsilyl 2-trimethylsilylperoxybenzoate

C13H22O4Si2 — CID 87186801

IUPACtrimethylsilyl 2-trimethylsilylperoxybenzoate
SMILESC[Si](C)(C)OOc1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H22O4Si2/c1-18(2,3)16-13(14)11-9-7-8-10-12(11)15-17-19(4,5)6/h7-10H,1-6H3
InChIKeyPJNHUTXDYJZZOF-UHFFFAOYSA-N
MW298.49 g/mol
LogP3.82
Rot. Bonds5

About trimethylsilyl 2-trimethylsilylperoxybenzoate

trimethylsilyl 2-trimethylsilylperoxybenzoate (PubChem CID 87186801) has the molecular formula C13H22O4Si2 and a molecular weight of 298.49 g/mol. Its IUPAC name is trimethylsilyl 2-trimethylsilylperoxybenzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-trimethylsilylperoxybenzoate
PubChem CID87186801
Molecular FormulaC13H22O4Si2
Molecular Weight298.49 g/mol
Exact Mass298.11
IUPAC Nametrimethylsilyl 2-trimethylsilylperoxybenzoate
SMILESC[Si](C)(C)OOc1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H22O4Si2/c1-18(2,3)16-13(14)11-9-7-8-10-12(11)15-17-19(4,5)6/h7-10H,1-6H3
InChIKeyPJNHUTXDYJZZOF-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl 2-methylbenzoate
CID 577266
trimethylsilyl 2-trimethylsilylbenzoate
CID 14439390
trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate
CID 134967873
[ethenyl(dimethyl)silyl] 2-[ethenyl(dimethyl)silyl]oxybenzoate
CID 59426935
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735685
1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735844
trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate
CID 528664
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 91719281
(E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one
CID 24787070
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-trimethylsilylperoxybenzoate?
The IUPAC name of trimethylsilyl 2-trimethylsilylperoxybenzoate (CID 87186801) is trimethylsilyl 2-trimethylsilylperoxybenzoate.
What is the SMILES notation for trimethylsilyl 2-trimethylsilylperoxybenzoate?
The canonical SMILES for trimethylsilyl 2-trimethylsilylperoxybenzoate is C[Si](C)(C)OOc1ccccc1C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-trimethylsilylperoxybenzoate?
The InChIKey is PJNHUTXDYJZZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si2/c1-18(2,3)16-13(14)11-9-7-8-10-12(11)15-17-19(4,5)6/h7-10H,1-6H3.
What are the key properties of trimethylsilyl 2-trimethylsilylperoxybenzoate?
trimethylsilyl 2-trimethylsilylperoxybenzoate has a molecular weight of 298.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-trimethylsilylperoxybenzoate is sourced from PubChem (CID 87186801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).