2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium

C23H35Cl2NOSi2Zr — CID 137156914

IUPAC2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium
SMILESCC(C)(C)c1cccc(/C=N/c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1O.Cl[Zr]Cl
InChIInChI=1S/C23H35NOSi2.2ClH.Zr/c1-23(2,3)21-12-10-11-17(22(21)25)16-24-18-13-19(26(4,5)6)15-20(14-18)27(7,8)9;;;/h10-16,25H,1-9H3;2*1H;/q;;;+2/p-2/b24-16+;;;
InChIKeyNNOKJQUASWUDQF-PUHAYJMPSA-L
MW559.84 g/mol
LogP6.91
Rot. Bonds4

About 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium

2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium (PubChem CID 137156914) has the molecular formula C23H35Cl2NOSi2Zr and a molecular weight of 559.84 g/mol. Its IUPAC name is 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium.

Molecular Properties

Compound Name2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium
PubChem CID137156914
Molecular FormulaC23H35Cl2NOSi2Zr
Molecular Weight559.84 g/mol
Exact Mass557.07
IUPAC Name2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium
SMILESCC(C)(C)c1cccc(/C=N/c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1O.Cl[Zr]Cl
InChIInChI=1S/C23H35NOSi2.2ClH.Zr/c1-23(2,3)21-12-10-11-17(22(21)25)16-24-18-13-19(26(4,5)6)15-20(14-18)27(7,8)9;;;/h10-16,25H,1-9H3;2*1H;/q;;;+2/p-2/b24-16+;;;
InChIKeyNNOKJQUASWUDQF-PUHAYJMPSA-L
XLogP6.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.84
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium?
The IUPAC name of 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium (CID 137156914) is 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium.
What is the SMILES notation for 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium?
The canonical SMILES for 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium is CC(C)(C)c1cccc(/C=N/c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1O.Cl[Zr]Cl.
What is the InChIKey of 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium?
The InChIKey is NNOKJQUASWUDQF-PUHAYJMPSA-L. The full InChI is InChI=1S/C23H35NOSi2.2ClH.Zr/c1-23(2,3)21-12-10-11-17(22(21)25)16-24-18-13-19(26(4,5)6)15-20(14-18)27(7,8)9;;;/h10-16,25H,1-9H3;2*1H;/q;;;+2/p-2/b24-16+;;;.
What are the key properties of 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium?
2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium has a molecular weight of 559.84 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium is sourced from PubChem (CID 137156914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).