CID 22292244

C28H32O3Si4 — CID 22292244

IUPAC
SMILESC[Si](O[Si](C)(O[Si](C)(O[Si](C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O3Si4/c1-32(25-17-9-5-10-18-25)29-34(3,27-21-13-7-14-22-27)31-35(4,28-23-15-8-16-24-28)30-33(2)26-19-11-6-12-20-26/h5-24H,1-4H3
InChIKeyVVIHZCQYTOCHON-UHFFFAOYSA-N
MW528.91 g/mol
LogP4.05
Rot. Bonds10

About CID 22292244

CID 22292244 (PubChem CID 22292244) has the molecular formula C28H32O3Si4 and a molecular weight of 528.91 g/mol.

Molecular Properties

Compound NameCID 22292244
PubChem CID22292244
Molecular FormulaC28H32O3Si4
Molecular Weight528.91 g/mol
Exact Mass528.14
IUPAC Name
SMILESC[Si](O[Si](C)(O[Si](C)(O[Si](C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O3Si4/c1-32(25-17-9-5-10-18-25)29-34(3,27-21-13-7-14-22-27)31-35(4,28-23-15-8-16-24-28)30-33(2)26-19-11-6-12-20-26/h5-24H,1-4H3
InChIKeyVVIHZCQYTOCHON-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.91
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 CID 22292244?
The IUPAC name of CID 22292244 (CID 22292244) is not available.
What is the SMILES notation for CID 22292244?
The canonical SMILES for CID 22292244 is C[Si](O[Si](C)(O[Si](C)(O[Si](C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 22292244?
The InChIKey is VVIHZCQYTOCHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O3Si4/c1-32(25-17-9-5-10-18-25)29-34(3,27-21-13-7-14-22-27)31-35(4,28-23-15-8-16-24-28)30-33(2)26-19-11-6-12-20-26/h5-24H,1-4H3.
What are the key properties of CID 22292244?
CID 22292244 has a molecular weight of 528.91 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22292244 is sourced from PubChem (CID 22292244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).