3-(2,3-dicarboxyphenyl)silylphthalic acid

C16H12O8Si — CID 152543848

IUPAC3-(2,3-dicarboxyphenyl)silylphthalic acid
SMILESO=C(O)c1cccc([SiH2]c2cccc(C(=O)O)c2C(=O)O)c1C(=O)O
InChIInChI=1S/C16H12O8Si/c17-13(18)7-3-1-5-9(11(7)15(21)22)25-10-6-2-4-8(14(19)20)12(10)16(23)24/h1-6H,25H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyYMBSGJYYRGTGLI-UHFFFAOYSA-N
MW360.35 g/mol
LogP-0.40
Rot. Bonds6

About 3-(2,3-dicarboxyphenyl)silylphthalic acid

3-(2,3-dicarboxyphenyl)silylphthalic acid (PubChem CID 152543848) has the molecular formula C16H12O8Si and a molecular weight of 360.35 g/mol. Its IUPAC name is 3-(2,3-dicarboxyphenyl)silylphthalic acid.

Molecular Properties

Compound Name3-(2,3-dicarboxyphenyl)silylphthalic acid
PubChem CID152543848
Molecular FormulaC16H12O8Si
Molecular Weight360.35 g/mol
Exact Mass360.03
IUPAC Name3-(2,3-dicarboxyphenyl)silylphthalic acid
SMILESO=C(O)c1cccc([SiH2]c2cccc(C(=O)O)c2C(=O)O)c1C(=O)O
InChIInChI=1S/C16H12O8Si/c17-13(18)7-3-1-5-9(11(7)15(21)22)25-10-6-2-4-8(14(19)20)12(10)16(23)24/h1-6H,25H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyYMBSGJYYRGTGLI-UHFFFAOYSA-N
XLogP-0.40
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
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 3-(2,3-dicarboxyphenyl)silylphthalic acid?
The IUPAC name of 3-(2,3-dicarboxyphenyl)silylphthalic acid (CID 152543848) is 3-(2,3-dicarboxyphenyl)silylphthalic acid.
What is the SMILES notation for 3-(2,3-dicarboxyphenyl)silylphthalic acid?
The canonical SMILES for 3-(2,3-dicarboxyphenyl)silylphthalic acid is O=C(O)c1cccc([SiH2]c2cccc(C(=O)O)c2C(=O)O)c1C(=O)O.
What is the InChIKey of 3-(2,3-dicarboxyphenyl)silylphthalic acid?
The InChIKey is YMBSGJYYRGTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O8Si/c17-13(18)7-3-1-5-9(11(7)15(21)22)25-10-6-2-4-8(14(19)20)12(10)16(23)24/h1-6H,25H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 3-(2,3-dicarboxyphenyl)silylphthalic acid?
3-(2,3-dicarboxyphenyl)silylphthalic acid has a molecular weight of 360.35 g/mol, XLogP of -0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dicarboxyphenyl)silylphthalic acid is sourced from PubChem (CID 152543848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).