chempirical

Diethyl acetylenedicarboxylate

C8H10O4CAS 762-21-0170.16 g/mol

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Properties

Molecular formula
C8H10O4
Molar mass
170.16 g/mol
Exact mass
170.0579 Da
Melting point
1.5 °C
Boiling point
108–118 °C (at 10 Torr)
logP
0.12Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
762-21-0
SMILES
CCOC(=O)C#CC(=O)OCC
InChIKey
STRNXFOUBFLVIN-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3

Weigh it out

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Names and synonyms

12 names
  • 2-Butynedioic acid, 1,4-diethyl ester
  • Acetylenedicarboxylic acid, diethyl ester
  • 2-Butynedioic acid, diethyl ester
  • Bis(ethoxycarbonyl)acetylene
  • Diethyl 2-butynedioate
  • Bis(carboethoxy)acetylene
  • Diethyl acetylenedicarboxylic acid
  • NSC 674446
  • NSC 67975
  • Diethyl 1,2-acetylenedicarboxylate
  • Diethyl butynedioate
  • 1,4-Diethyl but-2-ynedioate

Work with Diethyl acetylenedicarboxylate

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 2-butynoate4341-76-874 % similar Ethyl 2-pentynoate55314-57-371 % similar Ethyl propiolate623-47-263 % similar Ethyl cyanoformate623-49-463 % similar Ethyl 2-octynoate10519-20-759 % similar Ethyl 2-nonynoate10031-92-257 % similar Ethyl phenylpropiolate2216-94-657 % similar Diethyl carbonate105-58-850 % similar

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

Same formula

2,6-Dimethoxyhydroquinone15233-65-5 1,4-Diacetoxy-2-butyne1573-17-7 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

Elsewhere

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