bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)

C28H44CoN2O2 — CID 24809192

IUPACbis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
SMILESCC(C)(C)c1cc(N)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(N)c([O-])c(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/2C14H23NO.Co/c2*1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;/h2*7-8,16H,15H2,1-6H3;/q;;+2/p-2
InChIKeyMSMUPAISEWRJOF-UHFFFAOYSA-L
MW499.61 g/mol
LogP5.87
Rot. Bonds

About bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)

bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+) (PubChem CID 24809192) has the molecular formula C28H44CoN2O2 and a molecular weight of 499.61 g/mol. Its IUPAC name is bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+).

Molecular Properties

Compound Namebis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
PubChem CID24809192
Molecular FormulaC28H44CoN2O2
Molecular Weight499.61 g/mol
Exact Mass499.27
IUPAC Namebis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
SMILESCC(C)(C)c1cc(N)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(N)c([O-])c(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/2C14H23NO.Co/c2*1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;/h2*7-8,16H,15H2,1-6H3;/q;;+2/p-2
InChIKeyMSMUPAISEWRJOF-UHFFFAOYSA-L
XLogP5.87
TPSA98.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)?
The IUPAC name of bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+) (CID 24809192) is bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+).
What is the SMILES notation for bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)?
The canonical SMILES for bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+) is CC(C)(C)c1cc(N)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(N)c([O-])c(C(C)(C)C)c1.[Co+2].
What is the InChIKey of bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)?
The InChIKey is MSMUPAISEWRJOF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H23NO.Co/c2*1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;/h2*7-8,16H,15H2,1-6H3;/q;;+2/p-2.
What are the key properties of bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)?
bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+) has a molecular weight of 499.61 g/mol, XLogP of 5.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+) is sourced from PubChem (CID 24809192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).