CID 87205203

C24H30Cl2SiZr-4 — CID 87205203

IUPAC—
SMILESCl.Cl.[CH2-]CCCC.[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C5H11.CH3.2ClH.Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2;;;;;/h2*1-7H;1,3-5H2,2H3;1H3;2*1H;;/q4*-1;;;;
InChIKeyGCJFCJOROOOEQR-UHFFFAOYSA-N
MW508.72 g/mol
LogP8.04
Rot. Bonds2

About CID 87205203

CID 87205203 (PubChem CID 87205203) has the molecular formula C24H30Cl2SiZr-4 and a molecular weight of 508.72 g/mol.

Molecular Properties

Compound NameCID 87205203
PubChem CID87205203
Molecular FormulaC24H30Cl2SiZr-4
Molecular Weight508.72 g/mol
Exact Mass506.06
IUPAC Name—
SMILESCl.Cl.[CH2-]CCCC.[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C5H11.CH3.2ClH.Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2;;;;;/h2*1-7H;1,3-5H2,2H3;1H3;2*1H;;/q4*-1;;;;
InChIKeyGCJFCJOROOOEQR-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.72
LogP ≤ 58.04
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 87205203?
The IUPAC name of CID 87205203 (CID 87205203) is not available.
What is the SMILES notation for CID 87205203?
The canonical SMILES for CID 87205203 is Cl.Cl.[CH2-]CCCC.[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 87205203?
The InChIKey is GCJFCJOROOOEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.C5H11.CH3.2ClH.Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2;;;;;/h2*1-7H;1,3-5H2,2H3;1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87205203?
CID 87205203 has a molecular weight of 508.72 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87205203 is sourced from PubChem (CID 87205203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).