chempirical

Iodomethyl 2,2-dimethylpropanoate

C6H11IO2CAS 53064-79-2242.06 g/mol

Open in Covalent MOL file
OOI
Alkyl halideEster

Properties

Molecular formula
C6H11IO2
Molar mass
242.06 g/mol
Exact mass
241.9804 Da
logP
1.97Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
53064-79-2
SMILES
CC(C)(C)C(=O)OCI
InChIKey
PELJISAVHGXLAL-UHFFFAOYSA-N
InChI
InChI=1S/C6H11IO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Propanoic acid, 2,2-dimethyl-, iodomethyl ester
  • (Pivaloyloxy)methyl iodide
  • Iodomethyl pivalate
  • Iodomethyl 2,2-dimethylpropionate
  • Pivalic acid iodomethyl ester
  • POMI
  • 2,2-Dimethylpropionic acid iodomethyl ester

Work with Iodomethyl 2,2-dimethylpropanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl pivalate3938-95-258 % similar Chloromethyl pivalate18997-19-856 % similar Pivalic anhydride1538-75-650 % similar Methyl pivalate598-98-146 % similar tert-Butyl peroxypivalate927-07-141 % similar Vinyl pivalate3377-92-240 % similar 2,3,4,6-Tetra-O-pivaloyl-α-D-glucopyranosyl bromide81058-27-737 % similar 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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