CID 172728352

C26H33Cl2SiZr — CID 172728352

IUPAC—
SMILESCC[SiH]CC.CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C11H11.C4H11Si.2ClH.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-5-4-2;;;/h2*3-8H,2H2,1H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyFONNOXXCKZZQAS-UHFFFAOYSA-L
MW535.77 g/mol
LogP1.55
Rot. Bonds4

About CID 172728352

CID 172728352 (PubChem CID 172728352) has the molecular formula C26H33Cl2SiZr and a molecular weight of 535.77 g/mol.

Molecular Properties

Compound NameCID 172728352
PubChem CID172728352
Molecular FormulaC26H33Cl2SiZr
Molecular Weight535.77 g/mol
Exact Mass533.08
IUPAC Name—
SMILESCC[SiH]CC.CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C11H11.C4H11Si.2ClH.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-5-4-2;;;/h2*3-8H,2H2,1H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyFONNOXXCKZZQAS-UHFFFAOYSA-L
XLogP1.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.77
LogP ≤ 51.55
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 172728352?
The IUPAC name of CID 172728352 (CID 172728352) is not available.
What is the SMILES notation for CID 172728352?
The canonical SMILES for CID 172728352 is CC[SiH]CC.CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 172728352?
The InChIKey is FONNOXXCKZZQAS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.C4H11Si.2ClH.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-5-4-2;;;/h2*3-8H,2H2,1H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 172728352?
CID 172728352 has a molecular weight of 535.77 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172728352 is sourced from PubChem (CID 172728352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).