ethyl 4-[dimethoxy(methyl)silyl]benzoate

C12H18O4Si — CID 102074408

IUPACethyl 4-[dimethoxy(methyl)silyl]benzoate
SMILESCCOC(=O)c1ccc([Si](C)(OC)OC)cc1
InChIInChI=1S/C12H18O4Si/c1-5-16-12(13)10-6-8-11(9-7-10)17(4,14-2)15-3/h6-9H,5H2,1-4H3
InChIKeySEXPQGMHDBZHGT-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.44
Rot. Bonds5

About ethyl 4-[dimethoxy(methyl)silyl]benzoate

ethyl 4-[dimethoxy(methyl)silyl]benzoate (PubChem CID 102074408) has the molecular formula C12H18O4Si and a molecular weight of 254.36 g/mol. Its IUPAC name is ethyl 4-[dimethoxy(methyl)silyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[dimethoxy(methyl)silyl]benzoate
PubChem CID102074408
Molecular FormulaC12H18O4Si
Molecular Weight254.36 g/mol
Exact Mass254.10
IUPAC Nameethyl 4-[dimethoxy(methyl)silyl]benzoate
SMILESCCOC(=O)c1ccc([Si](C)(OC)OC)cc1
InChIInChI=1S/C12H18O4Si/c1-5-16-12(13)10-6-8-11(9-7-10)17(4,14-2)15-3/h6-9H,5H2,1-4H3
InChIKeySEXPQGMHDBZHGT-UHFFFAOYSA-N
XLogP1.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 1-methylpyridin-1-ium-4-carboxylate;hydroiodide
CID 126957218
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121
ethyl 4-(dichloro-λ3-iodanyl)benzoate
CID 146169313
butane;ethyl 4-aminobenzoate
CID 67389405
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[dimethoxy(methyl)silyl]benzoate?
The IUPAC name of ethyl 4-[dimethoxy(methyl)silyl]benzoate (CID 102074408) is ethyl 4-[dimethoxy(methyl)silyl]benzoate.
What is the SMILES notation for ethyl 4-[dimethoxy(methyl)silyl]benzoate?
The canonical SMILES for ethyl 4-[dimethoxy(methyl)silyl]benzoate is CCOC(=O)c1ccc([Si](C)(OC)OC)cc1.
What is the InChIKey of ethyl 4-[dimethoxy(methyl)silyl]benzoate?
The InChIKey is SEXPQGMHDBZHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4Si/c1-5-16-12(13)10-6-8-11(9-7-10)17(4,14-2)15-3/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 4-[dimethoxy(methyl)silyl]benzoate?
ethyl 4-[dimethoxy(methyl)silyl]benzoate has a molecular weight of 254.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[dimethoxy(methyl)silyl]benzoate is sourced from PubChem (CID 102074408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).