Iodomethyl 2,2-dimethylpropanoate

C₆H₁₁IO₂CAS 53064-79-2242.06 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₆H₁₁IO₂
Molar mass: 242.06 g/mol
Exact mass: 241.9804 Da
logP: 1.97Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation92.9% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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 pivalate18797-19-856 % similar Chloromethyl pivalate18997-19-856 % similar Pivalic anhydride1538-75-650 % similar Methyl pivalate598-98-146 % similar tert-Butyl trimethylacetate16474-43-444 % similar tert-Butyl peroxypivalate927-07-141 % similar Vinyl pivalate3377-92-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodobutyl acetate40596-44-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook