CID 22507886

C26H36Cl2OSiZr — CID 22507886

IUPAC—
SMILESCCCCCCc1cc2c(-c3ccc(CCC)cc3)cccc2[cH-]1.C[Si](C)O.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C24H29.C2H7OSi.2ClH.Zr/c1-3-5-6-7-10-20-17-22-11-8-12-23(24(22)18-20)21-15-13-19(9-4-2)14-16-21;1-4(2)3;;;/h8,11-18H,3-7,9-10H2,1-2H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyFVFWOOCJHGREAF-UHFFFAOYSA-L
MW554.79 g/mol
LogP1.54
Rot. Bonds8

About CID 22507886

CID 22507886 (PubChem CID 22507886) has the molecular formula C26H36Cl2OSiZr and a molecular weight of 554.79 g/mol.

Molecular Properties

Compound NameCID 22507886
PubChem CID22507886
Molecular FormulaC26H36Cl2OSiZr
Molecular Weight554.79 g/mol
Exact Mass552.10
IUPAC Name—
SMILESCCCCCCc1cc2c(-c3ccc(CCC)cc3)cccc2[cH-]1.C[Si](C)O.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C24H29.C2H7OSi.2ClH.Zr/c1-3-5-6-7-10-20-17-22-11-8-12-23(24(22)18-20)21-15-13-19(9-4-2)14-16-21;1-4(2)3;;;/h8,11-18H,3-7,9-10H2,1-2H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyFVFWOOCJHGREAF-UHFFFAOYSA-L
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.79
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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bis(4-(4-tert-butylphenyl)-2-hexyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
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dichlorozirconium(2+);bis(2-hexyl-4-(4-methylphenyl)-1H-inden-1-ide)
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bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
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4-(4-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
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dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene)
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Frequently Asked Questions

What is the IUPAC name of CID 22507886?
The IUPAC name of CID 22507886 (CID 22507886) is not available.
What is the SMILES notation for CID 22507886?
The canonical SMILES for CID 22507886 is CCCCCCc1cc2c(-c3ccc(CCC)cc3)cccc2[cH-]1.C[Si](C)O.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 22507886?
The InChIKey is FVFWOOCJHGREAF-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H29.C2H7OSi.2ClH.Zr/c1-3-5-6-7-10-20-17-22-11-8-12-23(24(22)18-20)21-15-13-19(9-4-2)14-16-21;1-4(2)3;;;/h8,11-18H,3-7,9-10H2,1-2H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 22507886?
CID 22507886 has a molecular weight of 554.79 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22507886 is sourced from PubChem (CID 22507886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).