CID 173198326

C23H26Cl2SiZr — CID 173198326

IUPAC—
SMILESCCCc1c[cH-]c2ccccc12.C[Si]C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H13.C9H7.C2H6Si.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h3-4,6-9H,2,5H2,1H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyFVQACFPANJIXIG-UHFFFAOYSA-L
MW492.68 g/mol
LogP8.23
Rot. Bonds2

About CID 173198326

CID 173198326 (PubChem CID 173198326) has the molecular formula C23H26Cl2SiZr and a molecular weight of 492.68 g/mol.

Molecular Properties

Compound NameCID 173198326
PubChem CID173198326
Molecular FormulaC23H26Cl2SiZr
Molecular Weight492.68 g/mol
Exact Mass490.02
IUPAC Name—
SMILESCCCc1c[cH-]c2ccccc12.C[Si]C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H13.C9H7.C2H6Si.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h3-4,6-9H,2,5H2,1H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyFVQACFPANJIXIG-UHFFFAOYSA-L
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.68
LogP ≤ 58.23
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 173198326?
The IUPAC name of CID 173198326 (CID 173198326) is not available.
What is the SMILES notation for CID 173198326?
The canonical SMILES for CID 173198326 is CCCc1c[cH-]c2ccccc12.C[Si]C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173198326?
The InChIKey is FVQACFPANJIXIG-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.C9H7.C2H6Si.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h3-4,6-9H,2,5H2,1H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173198326?
CID 173198326 has a molecular weight of 492.68 g/mol, XLogP of 8.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173198326 is sourced from PubChem (CID 173198326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).