5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium

C18H25NOTe — CID 164888414

IUPAC5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium
SMILESCc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[te][n+]1[O-]
InChIInChI=1S/C18H25NOTe/c1-12-8-16(21-19(12)20)13-9-14(17(2,3)4)11-15(10-13)18(5,6)7/h8-11H,1-7H3
InChIKeyWASDLIHIHJANRE-UHFFFAOYSA-N
MW399.00 g/mol
LogP3.95
Rot. Bonds1

About 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium

5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium (PubChem CID 164888414) has the molecular formula C18H25NOTe and a molecular weight of 399.00 g/mol. Its IUPAC name is 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium.

Molecular Properties

Compound Name5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium
PubChem CID164888414
Molecular FormulaC18H25NOTe
Molecular Weight399.00 g/mol
Exact Mass401.10
IUPAC Name5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium
SMILESCc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[te][n+]1[O-]
InChIInChI=1S/C18H25NOTe/c1-12-8-16(21-19(12)20)13-9-14(17(2,3)4)11-15(10-13)18(5,6)7/h8-11H,1-7H3
InChIKeyWASDLIHIHJANRE-UHFFFAOYSA-N
XLogP3.95
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.00
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide
CID 139049869
3-Methyl-5-phenyl-1,2-tellurazole
CID 13159602
3-Methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium
CID 102274932
3-Methyl-5-phenyl-1,2-tellurazole 2-oxide
CID 129892009
3-Tert-butyl-5-phenyl-1,2-tellurazole
CID 135008605
5-Phenyl-3-propan-2-yl-1,2-tellurazole
CID 101221996

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium?
The IUPAC name of 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium (CID 164888414) is 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium.
What is the SMILES notation for 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium?
The canonical SMILES for 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium is Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[te][n+]1[O-].
What is the InChIKey of 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium?
The InChIKey is WASDLIHIHJANRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOTe/c1-12-8-16(21-19(12)20)13-9-14(17(2,3)4)11-15(10-13)18(5,6)7/h8-11H,1-7H3.
What are the key properties of 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium?
5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium has a molecular weight of 399.00 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-ditert-butylphenyl)-3-methyl-2-oxido-1,2-tellurazol-2-ium is sourced from PubChem (CID 164888414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).