CID 173178067

C24H27Cl2SiZr — CID 173178067

IUPAC—
SMILESCCCC[Si].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C10H9.C4H9Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-2-3-4-5;;;/h2*2-7H,1H3;2-4H2,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyXSOPRTLPTBDVHV-UHFFFAOYSA-L
MW505.70 g/mol
LogP8.48
Rot. Bonds2

About CID 173178067

CID 173178067 (PubChem CID 173178067) has the molecular formula C24H27Cl2SiZr and a molecular weight of 505.70 g/mol.

Molecular Properties

Compound NameCID 173178067
PubChem CID173178067
Molecular FormulaC24H27Cl2SiZr
Molecular Weight505.70 g/mol
Exact Mass503.03
IUPAC Name—
SMILESCCCC[Si].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C10H9.C4H9Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-2-3-4-5;;;/h2*2-7H,1H3;2-4H2,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyXSOPRTLPTBDVHV-UHFFFAOYSA-L
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.70
LogP ≤ 58.48
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 173178067?
The IUPAC name of CID 173178067 (CID 173178067) is not available.
What is the SMILES notation for CID 173178067?
The canonical SMILES for CID 173178067 is CCCC[Si].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl.
What is the InChIKey of CID 173178067?
The InChIKey is XSOPRTLPTBDVHV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9.C4H9Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-2-3-4-5;;;/h2*2-7H,1H3;2-4H2,1H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173178067?
CID 173178067 has a molecular weight of 505.70 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173178067 is sourced from PubChem (CID 173178067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).