CID 159549239

C22H24SiZr2 — CID 159549239

IUPAC—
SMILESC[Si]C.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Zr+2].[Zr]
InChIInChI=1S/2C10H9.C2H6Si.2Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;/h2*2-7H,1H3;1-2H3;;/q2*-1;;;+2
InChIKeyPRZXDJXDBIYNTG-UHFFFAOYSA-N
MW498.97 g/mol
LogP6.52
Rot. Bonds

About CID 159549239

CID 159549239 (PubChem CID 159549239) has the molecular formula C22H24SiZr2 and a molecular weight of 498.97 g/mol.

Molecular Properties

Compound NameCID 159549239
PubChem CID159549239
Molecular FormulaC22H24SiZr2
Molecular Weight498.97 g/mol
Exact Mass495.97
IUPAC Name—
SMILESC[Si]C.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Zr+2].[Zr]
InChIInChI=1S/2C10H9.C2H6Si.2Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;/h2*2-7H,1H3;1-2H3;;/q2*-1;;;+2
InChIKeyPRZXDJXDBIYNTG-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.97
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159549239?
The IUPAC name of CID 159549239 (CID 159549239) is not available.
What is the SMILES notation for CID 159549239?
The canonical SMILES for CID 159549239 is C[Si]C.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Zr+2].[Zr].
What is the InChIKey of CID 159549239?
The InChIKey is PRZXDJXDBIYNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.C2H6Si.2Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;/h2*2-7H,1H3;1-2H3;;/q2*-1;;;+2.
What are the key properties of CID 159549239?
CID 159549239 has a molecular weight of 498.97 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159549239 is sourced from PubChem (CID 159549239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).