CID 137252196

C30H27O4Si3 — CID 137252196

IUPAC—
SMILESO[Si](O[Si](O[Si](O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27O4Si3/c31-36(27-18-8-2-9-19-27,28-20-10-3-11-21-28)33-35(26-16-6-1-7-17-26)34-37(32,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31-32H
InChIKeyJUUMNABCSNRLPJ-UHFFFAOYSA-N
MW535.80 g/mol
LogP1.91
Rot. Bonds9

About CID 137252196

CID 137252196 (PubChem CID 137252196) has the molecular formula C30H27O4Si3 and a molecular weight of 535.80 g/mol.

Molecular Properties

Compound NameCID 137252196
PubChem CID137252196
Molecular FormulaC30H27O4Si3
Molecular Weight535.80 g/mol
Exact Mass535.12
IUPAC Name—
SMILESO[Si](O[Si](O[Si](O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27O4Si3/c31-36(27-18-8-2-9-19-27,28-20-10-3-11-21-28)33-35(26-16-6-1-7-17-26)34-37(32,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31-32H
InChIKeyJUUMNABCSNRLPJ-UHFFFAOYSA-N
XLogP1.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.80
LogP ≤ 51.91
H-Bond Donors ≤ 52
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 CID 137252196?
The IUPAC name of CID 137252196 (CID 137252196) is not available.
What is the SMILES notation for CID 137252196?
The canonical SMILES for CID 137252196 is O[Si](O[Si](O[Si](O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 137252196?
The InChIKey is JUUMNABCSNRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27O4Si3/c31-36(27-18-8-2-9-19-27,28-20-10-3-11-21-28)33-35(26-16-6-1-7-17-26)34-37(32,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31-32H.
What are the key properties of CID 137252196?
CID 137252196 has a molecular weight of 535.80 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137252196 is sourced from PubChem (CID 137252196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).