methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate

C14H20O3Si — CID 174909112

IUPACmethyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate
SMILESCOC(=O)c1ccccc1C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C14H20O3Si/c1-10(15)13(18(3,4)5)11-8-6-7-9-12(11)14(16)17-2/h6-9,13H,1-5H3
InChIKeyVVRCDDVMXDXMIN-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate

methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate (PubChem CID 174909112) has the molecular formula C14H20O3Si and a molecular weight of 264.40 g/mol. Its IUPAC name is methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate
PubChem CID174909112
Molecular FormulaC14H20O3Si
Molecular Weight264.40 g/mol
Exact Mass264.12
IUPAC Namemethyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate
SMILESCOC(=O)c1ccccc1C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C14H20O3Si/c1-10(15)13(18(3,4)5)11-8-6-7-9-12(11)14(16)17-2/h6-9,13H,1-5H3
InChIKeyVVRCDDVMXDXMIN-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[acetyloxy(chloro)methyl]benzoate
CID 140615653
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
bis(2-methoxycarbonylphenyl)methylsulfanium
CID 18471242
methyl 2-[(1S)-1-aminoethyl]benzoate
CID 130987830
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(1S)-1-amino-2-fluoroethyl]benzoate
CID 171211043
methyl 2-[(1R)-1-cyanoethyl]benzoate
CID 146001416
methyl 2-(2-amino-1-chloro-2-oxoethyl)benzoate
CID 174762965
methyl 2-[1-(4-formylphenyl)-2-oxopropyl]benzoate
CID 174890921
methyl 2-(1-aminoprop-2-enyl)benzoate
CID 55273235
methyl 2-[(1S)-1,3-diaminopropyl]benzoate
CID 171230647
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate
CID 176652584

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate?
The IUPAC name of methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate (CID 174909112) is methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate.
What is the SMILES notation for methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate?
The canonical SMILES for methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate is COC(=O)c1ccccc1C(C(C)=O)[Si](C)(C)C.
What is the InChIKey of methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate?
The InChIKey is VVRCDDVMXDXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3Si/c1-10(15)13(18(3,4)5)11-8-6-7-9-12(11)14(16)17-2/h6-9,13H,1-5H3.
What are the key properties of methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate?
methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate has a molecular weight of 264.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate is sourced from PubChem (CID 174909112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).