CID 173161362

C24H28Cl2SiZr-4 — CID 173161362

IUPAC—
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si].[Zr+2]
InChIInChI=1S/2C11H11.2CH3.2ClH.Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;;;;/h2*3-8H,2H2,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2
InChIKeyDRYKARJTYBOSHF-UHFFFAOYSA-L
MW506.70 g/mol
LogP0.77
Rot. Bonds2

About CID 173161362

CID 173161362 (PubChem CID 173161362) has the molecular formula C24H28Cl2SiZr-4 and a molecular weight of 506.70 g/mol.

Molecular Properties

Compound NameCID 173161362
PubChem CID173161362
Molecular FormulaC24H28Cl2SiZr-4
Molecular Weight506.70 g/mol
Exact Mass504.04
IUPAC Name—
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si].[Zr+2]
InChIInChI=1S/2C11H11.2CH3.2ClH.Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;;;;/h2*3-8H,2H2,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2
InChIKeyDRYKARJTYBOSHF-UHFFFAOYSA-L
XLogP0.77
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 ≤ 50.77
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 173161362?
The IUPAC name of CID 173161362 (CID 173161362) is not available.
What is the SMILES notation for CID 173161362?
The canonical SMILES for CID 173161362 is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si].[Zr+2].
What is the InChIKey of CID 173161362?
The InChIKey is DRYKARJTYBOSHF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.2CH3.2ClH.Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;;;;/h2*3-8H,2H2,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2.
What are the key properties of CID 173161362?
CID 173161362 has a molecular weight of 506.70 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173161362 is sourced from PubChem (CID 173161362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).