[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid

C11H15BO3S2Si — CID 54085931

IUPAC[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid
SMILESC[Si](C)(C)c1ccc(-c2ccc(OB(O)O)s2)s1
InChIInChI=1S/C11H15BO3S2Si/c1-18(2,3)11-7-5-9(17-11)8-4-6-10(16-8)15-12(13)14/h4-7,13-14H,1-3H3
InChIKeyMQLLZJXVMVEGKA-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.37
Rot. Bonds4

About [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid

[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid (PubChem CID 54085931) has the molecular formula C11H15BO3S2Si and a molecular weight of 298.27 g/mol. Its IUPAC name is [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid.

Molecular Properties

Compound Name[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid
PubChem CID54085931
Molecular FormulaC11H15BO3S2Si
Molecular Weight298.27 g/mol
Exact Mass298.03
IUPAC Name[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid
SMILESC[Si](C)(C)c1ccc(-c2ccc(OB(O)O)s2)s1
InChIInChI=1S/C11H15BO3S2Si/c1-18(2,3)11-7-5-9(17-11)8-4-6-10(16-8)15-12(13)14/h4-7,13-14H,1-3H3
InChIKeyMQLLZJXVMVEGKA-UHFFFAOYSA-N
XLogP2.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid?
The IUPAC name of [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid (CID 54085931) is [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid.
What is the SMILES notation for [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid?
The canonical SMILES for [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid is C[Si](C)(C)c1ccc(-c2ccc(OB(O)O)s2)s1.
What is the InChIKey of [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid?
The InChIKey is MQLLZJXVMVEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO3S2Si/c1-18(2,3)11-7-5-9(17-11)8-4-6-10(16-8)15-12(13)14/h4-7,13-14H,1-3H3.
What are the key properties of [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid?
[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid has a molecular weight of 298.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]oxyboronic acid is sourced from PubChem (CID 54085931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).