CID 157370475

C28H30O13Si2 — CID 157370475

IUPAC—
SMILESC[Si]O[Si](C)(C)C.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/3C8H6O4.C4H12OSi2/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;1-6-5-7(2,3)4/h3*1-4H,(H,9,10)(H,11,12);1-4H3
InChIKeyFQMDRUNGHWREJV-UHFFFAOYSA-N
MW630.71 g/mol
LogP4.75
Rot. Bonds8

About CID 157370475

CID 157370475 (PubChem CID 157370475) has the molecular formula C28H30O13Si2 and a molecular weight of 630.71 g/mol.

Molecular Properties

Compound NameCID 157370475
PubChem CID157370475
Molecular FormulaC28H30O13Si2
Molecular Weight630.71 g/mol
Exact Mass630.12
IUPAC Name—
SMILESC[Si]O[Si](C)(C)C.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/3C8H6O4.C4H12OSi2/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;1-6-5-7(2,3)4/h3*1-4H,(H,9,10)(H,11,12);1-4H3
InChIKeyFQMDRUNGHWREJV-UHFFFAOYSA-N
XLogP4.75
TPSA233.03 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.71
LogP ≤ 54.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 157370475?
The IUPAC name of CID 157370475 (CID 157370475) is not available.
What is the SMILES notation for CID 157370475?
The canonical SMILES for CID 157370475 is C[Si]O[Si](C)(C)C.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of CID 157370475?
The InChIKey is FQMDRUNGHWREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6O4.C4H12OSi2/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;1-6-5-7(2,3)4/h3*1-4H,(H,9,10)(H,11,12);1-4H3.
What are the key properties of CID 157370475?
CID 157370475 has a molecular weight of 630.71 g/mol, XLogP of 4.75, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157370475 is sourced from PubChem (CID 157370475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).