CID 173198329

C24H28Cl2SiZr — CID 173198329

IUPAC—
SMILESCCc1c[cH-]c2ccccc12.CCc1c[cH-]c2ccccc12.C[Si]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;;;/h2*3-8H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyVUZHHAKTNGRTIJ-UHFFFAOYSA-L
MW506.70 g/mol
LogP1.03
Rot. Bonds2

About CID 173198329

CID 173198329 (PubChem CID 173198329) has the molecular formula C24H28Cl2SiZr and a molecular weight of 506.70 g/mol.

Molecular Properties

Compound NameCID 173198329
PubChem CID173198329
Molecular FormulaC24H28Cl2SiZr
Molecular Weight506.70 g/mol
Exact Mass504.04
IUPAC Name—
SMILESCCc1c[cH-]c2ccccc12.CCc1c[cH-]c2ccccc12.C[Si]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;;;/h2*3-8H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyVUZHHAKTNGRTIJ-UHFFFAOYSA-L
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.70
LogP ≤ 51.03
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173198329?
The IUPAC name of CID 173198329 (CID 173198329) is not available.
What is the SMILES notation for CID 173198329?
The canonical SMILES for CID 173198329 is CCc1c[cH-]c2ccccc12.CCc1c[cH-]c2ccccc12.C[Si]C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173198329?
The InChIKey is VUZHHAKTNGRTIJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;;;/h2*3-8H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173198329?
CID 173198329 has a molecular weight of 506.70 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173198329 is sourced from PubChem (CID 173198329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).