trimethylsilyl 4-methylbenzoate

C11H16O2Si — CID 12726301

IUPACtrimethylsilyl 4-methylbenzoate
SMILESCc1ccc(C(=O)O[Si](C)(C)C)cc1
InChIInChI=1S/C11H16O2Si/c1-9-5-7-10(8-6-9)11(12)13-14(2,3)4/h5-8H,1-4H3
InChIKeyGKODXEXJNJLBCA-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.99
Rot. Bonds2

About trimethylsilyl 4-methylbenzoate

trimethylsilyl 4-methylbenzoate (PubChem CID 12726301) has the molecular formula C11H16O2Si and a molecular weight of 208.33 g/mol. Its IUPAC name is trimethylsilyl 4-methylbenzoate.

Molecular Properties

Compound Nametrimethylsilyl 4-methylbenzoate
PubChem CID12726301
Molecular FormulaC11H16O2Si
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Nametrimethylsilyl 4-methylbenzoate
SMILESCc1ccc(C(=O)O[Si](C)(C)C)cc1
InChIInChI=1S/C11H16O2Si/c1-9-5-7-10(8-6-9)11(12)13-14(2,3)4/h5-8H,1-4H3
InChIKeyGKODXEXJNJLBCA-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

Sodium Benzoate
CID 517055
Methyl Benzoate
CID 7150
Terephthalic Acid
CID 7489
Dimethyl terephthalate
CID 8441
P-Toluic Acid
CID 7470
Potassium Benzoate
CID 23661960
4-tert-Butylbenzoic acid
CID 7403
tert-Butyl peroxybenzoate
CID 11966
4-Isopropylbenzoic Acid
CID 10820
Methyl 4-methylbenzoate
CID 7455
Dibutyl terephthalate
CID 16066
4-Ethylbenzoic Acid
CID 12086

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-methylbenzoate?
The IUPAC name of trimethylsilyl 4-methylbenzoate (CID 12726301) is trimethylsilyl 4-methylbenzoate.
What is the SMILES notation for trimethylsilyl 4-methylbenzoate?
The canonical SMILES for trimethylsilyl 4-methylbenzoate is Cc1ccc(C(=O)O[Si](C)(C)C)cc1.
What is the InChIKey of trimethylsilyl 4-methylbenzoate?
The InChIKey is GKODXEXJNJLBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2Si/c1-9-5-7-10(8-6-9)11(12)13-14(2,3)4/h5-8H,1-4H3.
What are the key properties of trimethylsilyl 4-methylbenzoate?
trimethylsilyl 4-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 4-methylbenzoate is sourced from PubChem (CID 12726301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).