CID 67820552

C20H18Si — CID 67820552

IUPAC—
SMILESC1=Cc2ccccc21.C1=Cc2ccccc21.C=C[Si]C=C
InChIInChI=1S/2C8H6.C4H6Si/c2*1-2-4-8-6-5-7(8)3-1;1-3-5-4-2/h2*1-6H;3-4H,1-2H2
InChIKeyYEGIKKZLZQKWNP-UHFFFAOYSA-N
MW286.45 g/mol
LogP5.32
Rot. Bonds2

About CID 67820552

CID 67820552 (PubChem CID 67820552) has the molecular formula C20H18Si and a molecular weight of 286.45 g/mol.

Molecular Properties

Compound NameCID 67820552
PubChem CID67820552
Molecular FormulaC20H18Si
Molecular Weight286.45 g/mol
Exact Mass286.12
IUPAC Name—
SMILESC1=Cc2ccccc21.C1=Cc2ccccc21.C=C[Si]C=C
InChIInChI=1S/2C8H6.C4H6Si/c2*1-2-4-8-6-5-7(8)3-1;1-3-5-4-2/h2*1-6H;3-4H,1-2H2
InChIKeyYEGIKKZLZQKWNP-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 67820552?
The IUPAC name of CID 67820552 (CID 67820552) is not available.
What is the SMILES notation for CID 67820552?
The canonical SMILES for CID 67820552 is C1=Cc2ccccc21.C1=Cc2ccccc21.C=C[Si]C=C.
What is the InChIKey of CID 67820552?
The InChIKey is YEGIKKZLZQKWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6.C4H6Si/c2*1-2-4-8-6-5-7(8)3-1;1-3-5-4-2/h2*1-6H;3-4H,1-2H2.
What are the key properties of CID 67820552?
CID 67820552 has a molecular weight of 286.45 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67820552 is sourced from PubChem (CID 67820552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).