trimethylsilyl 2-methylbenzoate

C11H16O2Si — CID 577266

IUPACtrimethylsilyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H16O2Si/c1-9-7-5-6-8-10(9)11(12)13-14(2,3)4/h5-8H,1-4H3
InChIKeyQWDJSIANUZLFHV-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.99
Rot. Bonds2

About trimethylsilyl 2-methylbenzoate

trimethylsilyl 2-methylbenzoate (PubChem CID 577266) has the molecular formula C11H16O2Si and a molecular weight of 208.33 g/mol. Its IUPAC name is trimethylsilyl 2-methylbenzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylbenzoate
PubChem CID577266
Molecular FormulaC11H16O2Si
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Nametrimethylsilyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H16O2Si/c1-9-7-5-6-8-10(9)11(12)13-14(2,3)4/h5-8H,1-4H3
InChIKeyQWDJSIANUZLFHV-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.99
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

trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
triethylsilyl 2-methylbenzoate
CID 102243806
bromo 2-methylbenzoate
CID 67185739
trimethylsilyl 2-trimethylsilylperoxybenzoate
CID 87186801
(E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one
CID 24787070
ethane;methane;methyl 2-methylbenzoate
CID 168902289
nitroso 2-methylbenzoate
CID 175187431
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate
CID 134967873
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
phosphono 2-methylbenzoate
CID 66728080
methyl 2-methylbenzoate;1,1,1-trifluoroethane
CID 156877365

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methylbenzoate?
The IUPAC name of trimethylsilyl 2-methylbenzoate (CID 577266) is trimethylsilyl 2-methylbenzoate.
What is the SMILES notation for trimethylsilyl 2-methylbenzoate?
The canonical SMILES for trimethylsilyl 2-methylbenzoate is Cc1ccccc1C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylbenzoate?
The InChIKey is QWDJSIANUZLFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2Si/c1-9-7-5-6-8-10(9)11(12)13-14(2,3)4/h5-8H,1-4H3.
What are the key properties of trimethylsilyl 2-methylbenzoate?
trimethylsilyl 2-methylbenzoate has a molecular weight of 208.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylbenzoate is sourced from PubChem (CID 577266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).