methyl 5-chloro-2-trimethylsilylbenzoate

C11H15ClO2Si — CID 175229635

IUPACmethyl 5-chloro-2-trimethylsilylbenzoate
SMILESCOC(=O)c1cc(Cl)ccc1[Si](C)(C)C
InChIInChI=1S/C11H15ClO2Si/c1-14-11(13)9-7-8(12)5-6-10(9)15(2,3)4/h5-7H,1-4H3
InChIKeyADHFWEAYBMZCLO-UHFFFAOYSA-N
MW242.78 g/mol
LogP2.67
Rot. Bonds2

About methyl 5-chloro-2-trimethylsilylbenzoate

methyl 5-chloro-2-trimethylsilylbenzoate (PubChem CID 175229635) has the molecular formula C11H15ClO2Si and a molecular weight of 242.78 g/mol. Its IUPAC name is methyl 5-chloro-2-trimethylsilylbenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-trimethylsilylbenzoate
PubChem CID175229635
Molecular FormulaC11H15ClO2Si
Molecular Weight242.78 g/mol
Exact Mass242.05
IUPAC Namemethyl 5-chloro-2-trimethylsilylbenzoate
SMILESCOC(=O)c1cc(Cl)ccc1[Si](C)(C)C
InChIInChI=1S/C11H15ClO2Si/c1-14-11(13)9-7-8(12)5-6-10(9)15(2,3)4/h5-7H,1-4H3
InChIKeyADHFWEAYBMZCLO-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-trimethylsilylbenzoate?
The IUPAC name of methyl 5-chloro-2-trimethylsilylbenzoate (CID 175229635) is methyl 5-chloro-2-trimethylsilylbenzoate.
What is the SMILES notation for methyl 5-chloro-2-trimethylsilylbenzoate?
The canonical SMILES for methyl 5-chloro-2-trimethylsilylbenzoate is COC(=O)c1cc(Cl)ccc1[Si](C)(C)C.
What is the InChIKey of methyl 5-chloro-2-trimethylsilylbenzoate?
The InChIKey is ADHFWEAYBMZCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2Si/c1-14-11(13)9-7-8(12)5-6-10(9)15(2,3)4/h5-7H,1-4H3.
What are the key properties of methyl 5-chloro-2-trimethylsilylbenzoate?
methyl 5-chloro-2-trimethylsilylbenzoate has a molecular weight of 242.78 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-trimethylsilylbenzoate is sourced from PubChem (CID 175229635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).