1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate

C13H18O4Si — CID 554883

IUPAC1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H18O4Si/c1-5-16-12(14)10-8-6-7-9-11(10)13(15)17-18(2,3)4/h6-9H,5H2,1-4H3
InChIKeyMJPCVXUDAHYBPA-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.86
Rot. Bonds4

About 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate

1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate (PubChem CID 554883) has the molecular formula C13H18O4Si and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate
PubChem CID554883
Molecular FormulaC13H18O4Si
Molecular Weight266.37 g/mol
Exact Mass266.10
IUPAC Name1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H18O4Si/c1-5-16-12(14)10-8-6-7-9-11(10)13(15)17-18(2,3)4/h6-9H,5H2,1-4H3
InChIKeyMJPCVXUDAHYBPA-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate (CID 554883) is 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate is CCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The InChIKey is MJPCVXUDAHYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4Si/c1-5-16-12(14)10-8-6-7-9-11(10)13(15)17-18(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate has a molecular weight of 266.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 554883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).