chempirical

1,4-Diacetoxy-2-butyne

C8H10O4CAS 1573-17-7170.16 g/mol

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Properties

Molecular formula
C8H10O4
Molar mass
170.16 g/mol
Exact mass
170.0579 Da
Density
1.1223 g/mL (at 25 °C)
Melting point
29.5–30 °C
Boiling point
135 °C (at 17 Torr)
logP
0.12Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
1573-17-7
SMILES
CC(=O)OCC#CCOC(C)=O
InChIKey
TVIMIQVBDDNCCR-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H3

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

Names and synonyms

5 names
  • 2-Butyne-1,4-diol, 1,4-diacetate
  • 2-Butyne-1,4-diol, diacetate
  • NSC 76565
  • 2-Butyne-1,4-diyl diacetate
  • 2-Butyn-1,4-diol diacetate

Work with 1,4-Diacetoxy-2-butyne

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

4-Diethylamino-2-butynyl acetate22396-77-664 % similar Glycol diacetate111-55-757 % similar Ethyl acetate141-78-652 % similar 1,3-Diacetoxypropane628-66-052 % similar Butylene glycol diacetate628-67-152 % similar 1,8-Diacetoxy-3,6-dioxaoctane111-21-750 % similar cis-1,4-Diacetoxy-2-butene25260-60-050 % similar Bromomethyl acetate590-97-650 % similar

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

Same formula

2,6-Dimethoxyhydroquinone15233-65-5 γ-Butyrolactone methacrylate195000-66-9 Rel-(1R,2S)-4-cyclohexene-1,2-dicarboxylic acid2305-26-2 Polyethylene glycol diacrylate26570-48-9 4-Acetoxy-2,5-dimethyl-3(2H)furanone4166-20-5 Diethyl squarate5231-87-8 6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione5617-70-9 Diethyl acetylenedicarboxylate762-21-0

Elsewhere

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