2,2-dimethylpropyl carboniodidate

C6H11IO2 — CID 71320370

IUPAC2,2-dimethylpropyl carboniodidate
SMILESCC(C)(C)COC(=O)I
InChIInChI=1S/C6H11IO2/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3
InChIKeyWUCRJRAURYTMJI-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.60
Rot. Bonds1

About 2,2-dimethylpropyl carboniodidate

2,2-dimethylpropyl carboniodidate (PubChem CID 71320370) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 2,2-dimethylpropyl carboniodidate.

Molecular Properties

Compound Name2,2-dimethylpropyl carboniodidate
PubChem CID71320370
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name2,2-dimethylpropyl carboniodidate
SMILESCC(C)(C)COC(=O)I
InChIInChI=1S/C6H11IO2/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3
InChIKeyWUCRJRAURYTMJI-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl carboniodidate?
The IUPAC name of 2,2-dimethylpropyl carboniodidate (CID 71320370) is 2,2-dimethylpropyl carboniodidate.
What is the SMILES notation for 2,2-dimethylpropyl carboniodidate?
The canonical SMILES for 2,2-dimethylpropyl carboniodidate is CC(C)(C)COC(=O)I.
What is the InChIKey of 2,2-dimethylpropyl carboniodidate?
The InChIKey is WUCRJRAURYTMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO2/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl carboniodidate?
2,2-dimethylpropyl carboniodidate has a molecular weight of 242.06 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl carboniodidate is sourced from PubChem (CID 71320370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).