CID 67856266

C8H6O7Si2 — CID 67856266

IUPAC—
SMILESO=C(O)c1ccc(C(=O)O)c(O)c1O.[Si]O[Si]
InChIInChI=1S/C8H6O6.OSi2/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;2-1-3/h1-2,9-10H,(H,11,12)(H,13,14);
InChIKeyGETXHDUONLDYGS-UHFFFAOYSA-N
MW270.30 g/mol
LogP-0.34
Rot. Bonds2

About CID 67856266

CID 67856266 (PubChem CID 67856266) has the molecular formula C8H6O7Si2 and a molecular weight of 270.30 g/mol.

Molecular Properties

Compound NameCID 67856266
PubChem CID67856266
Molecular FormulaC8H6O7Si2
Molecular Weight270.30 g/mol
Exact Mass269.97
IUPAC Name—
SMILESO=C(O)c1ccc(C(=O)O)c(O)c1O.[Si]O[Si]
InChIInChI=1S/C8H6O6.OSi2/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;2-1-3/h1-2,9-10H,(H,11,12)(H,13,14);
InChIKeyGETXHDUONLDYGS-UHFFFAOYSA-N
XLogP-0.34
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 67856266?
The IUPAC name of CID 67856266 (CID 67856266) is not available.
What is the SMILES notation for CID 67856266?
The canonical SMILES for CID 67856266 is O=C(O)c1ccc(C(=O)O)c(O)c1O.[Si]O[Si].
What is the InChIKey of CID 67856266?
The InChIKey is GETXHDUONLDYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O6.OSi2/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;2-1-3/h1-2,9-10H,(H,11,12)(H,13,14);.
What are the key properties of CID 67856266?
CID 67856266 has a molecular weight of 270.30 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67856266 is sourced from PubChem (CID 67856266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).