Bis(tert-butylcarbonyloxy)iodobenzene

• CAS: 57357-20-7
• Catalog Number: ACM57357207
• Category: Other Products
• Molecular Weight: 406.26
• Molecular Formula: C₁₆H₂₃IO₄
• Synonyms: 57357-20-7, SureCN364665, CTK5A6715
• IUPAC Name: [2-(2,2-dimethylpropanoyloxy)-3-iodophenyl] 2,2-dimethylpropanoate
• Canonical SMILES: CC(C)(C)C(=O)OC1=C(C(=CC=C1)I)OC(=O)C(C)(C)C
• InChI Key: IBJMAUSPTVZWBK-UHFFFAOYSA-N
• Melting Point: 104-109ºC
• Exact Mass: 406.06400
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Bis(tert-butylcarbonyloxy)iodobenzene?

The molecular formula is C16H23IO4.

What is the molecular weight of Bis(tert-butylcarbonyloxy)iodobenzene?

The molecular weight is 406.26 g/mol.

When was Bis(tert-butylcarbonyloxy)iodobenzene created and modified on PubChem?

It was created on 2006-11-06 and modified on 2023-12-30.

What is the IUPAC name of Bis(tert-butylcarbonyloxy)iodobenzene?

The IUPAC name is [2,2-dimethylpropanoyloxy(phenyl)-λ3-iodanyl] 2,2-dimethylpropanoate.

What is the InChIKey of Bis(tert-butylcarbonyloxy)iodobenzene?

The InChIKey is DZKPLZUSZXYHFB-UHFFFAOYSA-N.

What is the Canonical SMILES of Bis(tert-butylcarbonyloxy)iodobenzene?

The Canonical SMILES is CC(C)(C)C(=O)OI(C1=CC=CC=C1)OC(=O)C(C)(C)C.

What is the XLogP3-AA value of Bis(tert-butylcarbonyloxy)iodobenzene?

The XLogP3-AA value is 5.6.

How many hydrogen bond acceptor counts does Bis(tert-butylcarbonyloxy)iodobenzene have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of Bis(tert-butylcarbonyloxy)iodobenzene?

The topological polar surface area is 52.6 Å^2.

Is Bis(tert-butylcarbonyloxy)iodobenzene a canonicalized compound?

Yes, it is a canonicalized compound.