CID 173337962

C22H24SiZr-4 — CID 173337962

IUPAC—
SMILESCc1ccc2cc[cH-]c2c1.Cc1ccc2cc[cH-]c2c1.[CH3-].[CH3-].[Si]=[Zr]
InChIInChI=1S/2C10H9.2CH3.Si.Zr/c2*1-8-5-6-9-3-2-4-10(9)7-8;;;;/h2*2-7H,1H3;2*1H3;;/q4*-1;;
InChIKeyCSPYJOIYVURUSC-UHFFFAOYSA-N
MW407.74 g/mol
LogP6.25
Rot. Bonds

About CID 173337962

CID 173337962 (PubChem CID 173337962) has the molecular formula C22H24SiZr-4 and a molecular weight of 407.74 g/mol.

Molecular Properties

Compound NameCID 173337962
PubChem CID173337962
Molecular FormulaC22H24SiZr-4
Molecular Weight407.74 g/mol
Exact Mass406.07
IUPAC Name—
SMILESCc1ccc2cc[cH-]c2c1.Cc1ccc2cc[cH-]c2c1.[CH3-].[CH3-].[Si]=[Zr]
InChIInChI=1S/2C10H9.2CH3.Si.Zr/c2*1-8-5-6-9-3-2-4-10(9)7-8;;;;/h2*2-7H,1H3;2*1H3;;/q4*-1;;
InChIKeyCSPYJOIYVURUSC-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.74
LogP ≤ 56.25
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 173337962?
The IUPAC name of CID 173337962 (CID 173337962) is not available.
What is the SMILES notation for CID 173337962?
The canonical SMILES for CID 173337962 is Cc1ccc2cc[cH-]c2c1.Cc1ccc2cc[cH-]c2c1.[CH3-].[CH3-].[Si]=[Zr].
What is the InChIKey of CID 173337962?
The InChIKey is CSPYJOIYVURUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.2CH3.Si.Zr/c2*1-8-5-6-9-3-2-4-10(9)7-8;;;;/h2*2-7H,1H3;2*1H3;;/q4*-1;;.
What are the key properties of CID 173337962?
CID 173337962 has a molecular weight of 407.74 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173337962 is sourced from PubChem (CID 173337962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).