diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate

C15H22O4Si — CID 42603594

IUPACdiethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
SMILESCCOC(=O)c1cccc([Si](C)(C)C)c1C(=O)OCC
InChIInChI=1S/C15H22O4Si/c1-6-18-14(16)11-9-8-10-12(20(3,4)5)13(11)15(17)19-7-2/h8-10H,6-7H2,1-5H3
InChIKeyVFWNQDFLJNYBAP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.59
Rot. Bonds5

About diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate

diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate (PubChem CID 42603594) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
PubChem CID42603594
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Namediethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
SMILESCCOC(=O)c1cccc([Si](C)(C)C)c1C(=O)OCC
InChIInChI=1S/C15H22O4Si/c1-6-18-14(16)11-9-8-10-12(20(3,4)5)13(11)15(17)19-7-2/h8-10H,6-7H2,1-5H3
InChIKeyVFWNQDFLJNYBAP-UHFFFAOYSA-N
XLogP2.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.59
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 diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate?
The IUPAC name of diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate (CID 42603594) is diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate.
What is the SMILES notation for diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate?
The canonical SMILES for diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate is CCOC(=O)c1cccc([Si](C)(C)C)c1C(=O)OCC.
What is the InChIKey of diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate?
The InChIKey is VFWNQDFLJNYBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4Si/c1-6-18-14(16)11-9-8-10-12(20(3,4)5)13(11)15(17)19-7-2/h8-10H,6-7H2,1-5H3.
What are the key properties of diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate?
diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate has a molecular weight of 294.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-trimethylsilylbenzene-1,2-dicarboxylate is sourced from PubChem (CID 42603594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).