2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate

C38H54CoN2O6Si2 — CID 173034032

IUPAC2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc([Si](C)(C)C)cc(/C=N/c2cccc(/N=C/c3cc([Si](C)(C)C)cc(C(C)(C)C)c3O)c2)c1O.[Co+2]
InChIInChI=1S/C34H48N2O2Si2.2C2H4O2.Co/c1-33(2,3)29-19-27(39(7,8)9)16-23(31(29)37)21-35-25-14-13-15-26(18-25)36-22-24-17-28(40(10,11)12)20-30(32(24)38)34(4,5)6;2*1-2(3)4;/h13-22,37-38H,1-12H3;2*1H3,(H,3,4);/q;;;+2/p-2/b35-21+,36-22+;;;
InChIKeyALMQDGOIPKTVSH-VTBWVDLMSA-L
MW749.96 g/mol
LogP5.79
Rot. Bonds6

About 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate

2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate (PubChem CID 173034032) has the molecular formula C38H54CoN2O6Si2 and a molecular weight of 749.96 g/mol. Its IUPAC name is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate.

Molecular Properties

Compound Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
PubChem CID173034032
Molecular FormulaC38H54CoN2O6Si2
Molecular Weight749.96 g/mol
Exact Mass749.29
IUPAC Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc([Si](C)(C)C)cc(/C=N/c2cccc(/N=C/c3cc([Si](C)(C)C)cc(C(C)(C)C)c3O)c2)c1O.[Co+2]
InChIInChI=1S/C34H48N2O2Si2.2C2H4O2.Co/c1-33(2,3)29-19-27(39(7,8)9)16-23(31(29)37)21-35-25-14-13-15-26(18-25)36-22-24-17-28(40(10,11)12)20-30(32(24)38)34(4,5)6;2*1-2(3)4;/h13-22,37-38H,1-12H3;2*1H3,(H,3,4);/q;;;+2/p-2/b35-21+,36-22+;;;
InChIKeyALMQDGOIPKTVSH-VTBWVDLMSA-L
XLogP5.79
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate?
The IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate (CID 173034032) is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate.
What is the SMILES notation for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate?
The canonical SMILES for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc([Si](C)(C)C)cc(/C=N/c2cccc(/N=C/c3cc([Si](C)(C)C)cc(C(C)(C)C)c3O)c2)c1O.[Co+2].
What is the InChIKey of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate?
The InChIKey is ALMQDGOIPKTVSH-VTBWVDLMSA-L. The full InChI is InChI=1S/C34H48N2O2Si2.2C2H4O2.Co/c1-33(2,3)29-19-27(39(7,8)9)16-23(31(29)37)21-35-25-14-13-15-26(18-25)36-22-24-17-28(40(10,11)12)20-30(32(24)38)34(4,5)6;2*1-2(3)4;/h13-22,37-38H,1-12H3;2*1H3,(H,3,4);/q;;;+2/p-2/b35-21+,36-22+;;;.
What are the key properties of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate?
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate has a molecular weight of 749.96 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate is sourced from PubChem (CID 173034032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).