trimethylsilyl 2-trimethylsilylbenzoate

C13H22O2Si2 — CID 14439390

IUPACtrimethylsilyl 2-trimethylsilylbenzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C13H22O2Si2/c1-16(2,3)12-10-8-7-9-11(12)13(14)15-17(4,5)6/h7-10H,1-6H3
InChIKeyAGDFWLOKWICJGE-UHFFFAOYSA-N
MW266.49 g/mol
LogP3.22
Rot. Bonds3

About trimethylsilyl 2-trimethylsilylbenzoate

trimethylsilyl 2-trimethylsilylbenzoate (PubChem CID 14439390) has the molecular formula C13H22O2Si2 and a molecular weight of 266.49 g/mol. Its IUPAC name is trimethylsilyl 2-trimethylsilylbenzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-trimethylsilylbenzoate
PubChem CID14439390
Molecular FormulaC13H22O2Si2
Molecular Weight266.49 g/mol
Exact Mass266.12
IUPAC Nametrimethylsilyl 2-trimethylsilylbenzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C13H22O2Si2/c1-16(2,3)12-10-8-7-9-11(12)13(14)15-17(4,5)6/h7-10H,1-6H3
InChIKeyAGDFWLOKWICJGE-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro 2-trimethylsilylbenzoate
CID 174392762
trimethylsilyl 2-methylbenzoate
CID 577266
trimethylsilyl 2-trimethylsilylperoxybenzoate
CID 87186801
trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735844
dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
CID 24938477
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 91719281
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate
CID 134967873
1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735685
trimethyl-(2-trimethylsilylphenyl)silane
CID 519794

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-trimethylsilylbenzoate?
The IUPAC name of trimethylsilyl 2-trimethylsilylbenzoate (CID 14439390) is trimethylsilyl 2-trimethylsilylbenzoate.
What is the SMILES notation for trimethylsilyl 2-trimethylsilylbenzoate?
The canonical SMILES for trimethylsilyl 2-trimethylsilylbenzoate is C[Si](C)(C)OC(=O)c1ccccc1[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-trimethylsilylbenzoate?
The InChIKey is AGDFWLOKWICJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si2/c1-16(2,3)12-10-8-7-9-11(12)13(14)15-17(4,5)6/h7-10H,1-6H3.
What are the key properties of trimethylsilyl 2-trimethylsilylbenzoate?
trimethylsilyl 2-trimethylsilylbenzoate has a molecular weight of 266.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-trimethylsilylbenzoate is sourced from PubChem (CID 14439390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).