carboxyphenylsilane

C7H6O2Si — CID 54174293

IUPAC—
SMILESO=C(O)[Si]c1ccccc1
InChIInChI=1S/C7H6O2Si/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKeyACZILCXGSYQEPR-UHFFFAOYSA-N
MW150.21 g/mol
LogP0.69
Rot. Bonds2

About carboxyphenylsilane

carboxyphenylsilane (PubChem CID 54174293) has the molecular formula C7H6O2Si and a molecular weight of 150.21 g/mol.

Molecular Properties

Compound Namecarboxyphenylsilane
PubChem CID54174293
Molecular FormulaC7H6O2Si
Molecular Weight150.21 g/mol
Exact Mass150.01
IUPAC Name—
SMILESO=C(O)[Si]c1ccccc1
InChIInChI=1S/C7H6O2Si/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKeyACZILCXGSYQEPR-UHFFFAOYSA-N
XLogP0.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 carboxyphenylsilane?
The IUPAC name of carboxyphenylsilane (CID 54174293) is not available.
What is the SMILES notation for carboxyphenylsilane?
The canonical SMILES for carboxyphenylsilane is O=C(O)[Si]c1ccccc1.
What is the InChIKey of carboxyphenylsilane?
The InChIKey is ACZILCXGSYQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2Si/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9).
What are the key properties of carboxyphenylsilane?
carboxyphenylsilane has a molecular weight of 150.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxyphenylsilane is sourced from PubChem (CID 54174293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).