chempirical

(2-Acetoxyethoxy)methyl acetate

C7H12O5CAS 59278-00-1176.17 g/mol

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AcetalEsterEther

Properties

Molecular formula
C7H12O5
Molar mass
176.17 g/mol
Exact mass
176.0685 Da
Density
1.1382 g/mL (at 20 °C)
Boiling point
114–116 °C (at 10 Torr)
logP
0.09Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
59278-00-1
SMILES
CC(=O)OCCOCOC(C)=O
InChIKey
XFEQOLXBMLXKDE-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3

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Names and synonyms

8 names
  • Ethanol, 2-[(acetyloxy)methoxy]-, 1-acetate
  • Ethanol, 2-[(acetyloxy)methoxy]-, acetate
  • Ethanol, 2-(hydroxymethoxy)-, diacetate
  • 2-Acetoxyethyl acetoxymethyl ether
  • 1,4-Diacetoxy-2-oxabutane
  • 2-Oxa-1,4-butanediol diacetate
  • 2-Acetoxymethoxyethyl acetate
  • 2-(Acetyloxymethoxy)ethyl acetate

Work with (2-Acetoxyethoxy)methyl acetate

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

1,8-Diacetoxy-3,6-dioxaoctane111-21-777 % similar Oxydiethylene acetate628-68-277 % similar Glycol diacetate111-55-771 % similar 2-Ethoxyethyl acetate111-15-965 % similar Carbitol acetate112-15-263 % similar Diethylene glycol monomethyl ether acetate629-38-963 % similar 2-Butoxyethanol acetate112-07-259 % similar Diethylene glycol monobutyl ether acetate124-17-459 % similar

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

Same formula

1,5-Dimethyl 3-hydroxypentanedioate7250-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook