methyl 2,2-dimethylpropanoate;hydroiodide

C6H13IO2 — CID 88523049

IUPACmethyl 2,2-dimethylpropanoate;hydroiodide
SMILESCOC(=O)C(C)(C)C.I
InChIInChI=1S/C6H12O2.HI/c1-6(2,3)5(7)8-4;/h1-4H3;1H
InChIKeyWJOUQDFVWITKLJ-UHFFFAOYSA-N
MW244.07 g/mol
LogP1.82
Rot. Bonds

About methyl 2,2-dimethylpropanoate;hydroiodide

methyl 2,2-dimethylpropanoate;hydroiodide (PubChem CID 88523049) has the molecular formula C6H13IO2 and a molecular weight of 244.07 g/mol. Its IUPAC name is methyl 2,2-dimethylpropanoate;hydroiodide.

Molecular Properties

Compound Namemethyl 2,2-dimethylpropanoate;hydroiodide
PubChem CID88523049
Molecular FormulaC6H13IO2
Molecular Weight244.07 g/mol
Exact Mass244.00
IUPAC Namemethyl 2,2-dimethylpropanoate;hydroiodide
SMILESCOC(=O)C(C)(C)C.I
InChIInChI=1S/C6H12O2.HI/c1-6(2,3)5(7)8-4;/h1-4H3;1H
InChIKeyWJOUQDFVWITKLJ-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethylpropanoate;hydroiodide?
The IUPAC name of methyl 2,2-dimethylpropanoate;hydroiodide (CID 88523049) is methyl 2,2-dimethylpropanoate;hydroiodide.
What is the SMILES notation for methyl 2,2-dimethylpropanoate;hydroiodide?
The canonical SMILES for methyl 2,2-dimethylpropanoate;hydroiodide is COC(=O)C(C)(C)C.I.
What is the InChIKey of methyl 2,2-dimethylpropanoate;hydroiodide?
The InChIKey is WJOUQDFVWITKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.HI/c1-6(2,3)5(7)8-4;/h1-4H3;1H.
What are the key properties of methyl 2,2-dimethylpropanoate;hydroiodide?
methyl 2,2-dimethylpropanoate;hydroiodide has a molecular weight of 244.07 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethylpropanoate;hydroiodide is sourced from PubChem (CID 88523049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).