CID 87327516

C22H13O2Si3 — CID 87327516

IUPAC—
SMILES[Si]O[Si]O[Si]c1cccc2cc3ccc4cc5ccccc5cc4c3cc12
InChIInChI=1S/C22H13O2Si3/c25-23-27-24-26-22-7-3-6-16-11-18-9-8-17-10-14-4-1-2-5-15(14)12-19(17)20(18)13-21(16)22/h1-13H
InChIKeyDXSYJSZMHZSSFJ-UHFFFAOYSA-N
MW393.60 g/mol
LogP4.19
Rot. Bonds4

About CID 87327516

CID 87327516 (PubChem CID 87327516) has the molecular formula C22H13O2Si3 and a molecular weight of 393.60 g/mol.

Molecular Properties

Compound NameCID 87327516
PubChem CID87327516
Molecular FormulaC22H13O2Si3
Molecular Weight393.60 g/mol
Exact Mass393.02
IUPAC Name—
SMILES[Si]O[Si]O[Si]c1cccc2cc3ccc4cc5ccccc5cc4c3cc12
InChIInChI=1S/C22H13O2Si3/c25-23-27-24-26-22-7-3-6-16-11-18-9-8-17-10-14-4-1-2-5-15(14)12-19(17)20(18)13-21(16)22/h1-13H
InChIKeyDXSYJSZMHZSSFJ-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87327516?
The IUPAC name of CID 87327516 (CID 87327516) is not available.
What is the SMILES notation for CID 87327516?
The canonical SMILES for CID 87327516 is [Si]O[Si]O[Si]c1cccc2cc3ccc4cc5ccccc5cc4c3cc12.
What is the InChIKey of CID 87327516?
The InChIKey is DXSYJSZMHZSSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13O2Si3/c25-23-27-24-26-22-7-3-6-16-11-18-9-8-17-10-14-4-1-2-5-15(14)12-19(17)20(18)13-21(16)22/h1-13H.
What are the key properties of CID 87327516?
CID 87327516 has a molecular weight of 393.60 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87327516 is sourced from PubChem (CID 87327516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).