chempirical

2-(Acetyloxy)-2-methylpropanoyl chloride

C6H9ClO3CAS 40635-66-3164.58 g/mol

Open in Covalent MOL file
OOOCl
Acyl halideEster

Properties

Molecular formula
C6H9ClO3
Molar mass
164.58 g/mol
Exact mass
164.0240 Da
Density
1.1498 g/mL (at 20 °C)
Boiling point
60–65 °C (at 9 Torr)
logP
1.09Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
40635-66-3
SMILES
CC(=O)OC(C)(C)C(=O)Cl
InChIKey
RBTCRFLJLUNCLL-UHFFFAOYSA-N
InChI
InChI=1S/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3

Weigh it out

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

Names and synonyms

12 names
  • Propanoyl chloride, 2-(acetyloxy)-2-methyl-
  • Lactoyl chloride, 2-methyl-, acetate
  • 2-Acetoxyisobutyryl chloride
  • 2-Acetoxy-2-methylpropionyl chloride
  • α-Acetoxyisobutyryl chloride
  • 1-Chlorocarbonyl-1-methylethyl acetate
  • Acetic acid 1-chlorocarbonyl-1-methylethyl ester
  • 2-Chloro-1,1-dimethyl-2-oxoethyl acetate
  • 2-Acetoxyisobutyroyl chloride
  • Acetic acid 2-chloro-1,1-dimethyl-2-oxoethyl ester
  • 1-Chloro-2-methyl-1-oxopropan-2-yl acetate
  • 2-Acetoxy-2-methylpropanoyl chloride

Work with 2-(Acetyloxy)-2-methylpropanoyl chloride

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

2-(Acetyloxy)-2-methylpropanoyl bromide40635-67-455 % similar tert-Butyl acetate540-88-548 % similar Pivaloyl chloride3282-30-241 % similar Acetic anhydride108-24-736 % similar tert-Butyl peroxyacetate107-71-135 % similar Methyltriacetoxysilane4253-34-334 % similar 3-Chloro-2,2-dimethylpropanoyl chloride4300-97-434 % similar 2,2-Dimethylbutanoyl chloride5856-77-934 % similar

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

Same formula

Ethyl succinyl chloride14794-31-1 Methyl 4-(chloroformyl)butyrate1501-26-4 Ethyl 2-chloroacetoacetate609-15-4 Ethyl 4-chloroacetoacetate638-07-3 Methyl 4-chloro-3-methoxycrotonate85153-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook