4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate

C20H22O5Si — CID 15037561

IUPAC4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)Oc2ccc([Si](C)(C)C)cc2C(C)=O)cc1
InChIInChI=1S/C20H22O5Si/c1-13(21)17-12-16(26(3,4)5)10-11-18(17)25-20(23)15-8-6-14(7-9-15)19(22)24-2/h6-12H,1-5H3
InChIKeyMINQFGGGIBUDKT-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.44
Rot. Bonds5

About 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate

4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate (PubChem CID 15037561) has the molecular formula C20H22O5Si and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate
PubChem CID15037561
Molecular FormulaC20H22O5Si
Molecular Weight370.48 g/mol
Exact Mass370.12
IUPAC Name4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)Oc2ccc([Si](C)(C)C)cc2C(C)=O)cc1
InChIInChI=1S/C20H22O5Si/c1-13(21)17-12-16(26(3,4)5)10-11-18(17)25-20(23)15-8-6-14(7-9-15)19(22)24-2/h6-12H,1-5H3
InChIKeyMINQFGGGIBUDKT-UHFFFAOYSA-N
XLogP3.44
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-acetyl-4-methoxybenzoate
CID 10798398
methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate
CID 67558861
methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
CID 124635200
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
methyl 5-bromo-2-(4-fluorobenzoyl)oxybenzoate
CID 17339880
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
methyl 4-(2-acetyl-4-fluorophenoxy)sulfonylbenzoate
CID 26527751
(4-acetyl-2-methoxyphenyl) 4-bromobenzoate
CID 7658775

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate?
The IUPAC name of 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate (CID 15037561) is 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate.
What is the SMILES notation for 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate?
The canonical SMILES for 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)Oc2ccc([Si](C)(C)C)cc2C(C)=O)cc1.
What is the InChIKey of 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate?
The InChIKey is MINQFGGGIBUDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5Si/c1-13(21)17-12-16(26(3,4)5)10-11-18(17)25-20(23)15-8-6-14(7-9-15)19(22)24-2/h6-12H,1-5H3.
What are the key properties of 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate?
4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate has a molecular weight of 370.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate is sourced from PubChem (CID 15037561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).