diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate

C26H34O4S2Si2 — CID 56653570

IUPACdiethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccc([Si](C)(C)C)s2)c(C(=O)OCC)cc1-c1ccc([Si](C)(C)C)s1
InChIInChI=1S/C26H34O4S2Si2/c1-9-29-25(27)19-15-18(22-12-14-24(32-22)34(6,7)8)20(26(28)30-10-2)16-17(19)21-11-13-23(31-21)33(3,4)5/h11-16H,9-10H2,1-8H3
InChIKeyVCTINGHCGFEKSH-UHFFFAOYSA-N
MW530.86 g/mol
LogP6.59
Rot. Bonds8

About diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate

diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate (PubChem CID 56653570) has the molecular formula C26H34O4S2Si2 and a molecular weight of 530.86 g/mol. Its IUPAC name is diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate
PubChem CID56653570
Molecular FormulaC26H34O4S2Si2
Molecular Weight530.86 g/mol
Exact Mass530.14
IUPAC Namediethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccc([Si](C)(C)C)s2)c(C(=O)OCC)cc1-c1ccc([Si](C)(C)C)s1
InChIInChI=1S/C26H34O4S2Si2/c1-9-29-25(27)19-15-18(22-12-14-24(32-22)34(6,7)8)20(26(28)30-10-2)16-17(19)21-11-13-23(31-21)33(3,4)5/h11-16H,9-10H2,1-8H3
InChIKeyVCTINGHCGFEKSH-UHFFFAOYSA-N
XLogP6.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.86
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate?
The IUPAC name of diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate (CID 56653570) is diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate.
What is the SMILES notation for diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate?
The canonical SMILES for diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate is CCOC(=O)c1cc(-c2ccc([Si](C)(C)C)s2)c(C(=O)OCC)cc1-c1ccc([Si](C)(C)C)s1.
What is the InChIKey of diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate?
The InChIKey is VCTINGHCGFEKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4S2Si2/c1-9-29-25(27)19-15-18(22-12-14-24(32-22)34(6,7)8)20(26(28)30-10-2)16-17(19)21-11-13-23(31-21)33(3,4)5/h11-16H,9-10H2,1-8H3.
What are the key properties of diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate?
diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate has a molecular weight of 530.86 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,5-bis(5-trimethylsilylthiophen-2-yl)benzene-1,4-dicarboxylate is sourced from PubChem (CID 56653570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).