CID 154825490

C20H28Cl2SiZr-6 — CID 154825490

IUPAC—
SMILES[CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.2CH3.2ClH.Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h2*3,6-7H,1-2,4-5H2;2*1H3;2*1H;;/q4*-1;;;;/p-2
InChIKeyFTXWRWAMUDNPKN-UHFFFAOYSA-L
MW458.66 g/mol
LogP-0.91
Rot. Bonds

About CID 154825490

CID 154825490 (PubChem CID 154825490) has the molecular formula C20H28Cl2SiZr-6 and a molecular weight of 458.66 g/mol.

Molecular Properties

Compound NameCID 154825490
PubChem CID154825490
Molecular FormulaC20H28Cl2SiZr-6
Molecular Weight458.66 g/mol
Exact Mass456.04
IUPAC Name—
SMILES[CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.2CH3.2ClH.Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h2*3,6-7H,1-2,4-5H2;2*1H3;2*1H;;/q4*-1;;;;/p-2
InChIKeyFTXWRWAMUDNPKN-UHFFFAOYSA-L
XLogP-0.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.66
LogP ≤ 5-0.91
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 154825490?
The IUPAC name of CID 154825490 (CID 154825490) is not available.
What is the SMILES notation for CID 154825490?
The canonical SMILES for CID 154825490 is [CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2.
What is the InChIKey of CID 154825490?
The InChIKey is FTXWRWAMUDNPKN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H11.2CH3.2ClH.Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h2*3,6-7H,1-2,4-5H2;2*1H3;2*1H;;/q4*-1;;;;/p-2.
What are the key properties of CID 154825490?
CID 154825490 has a molecular weight of 458.66 g/mol, XLogP of -0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154825490 is sourced from PubChem (CID 154825490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).