chempirical

Ethyl 2-butynoate

C6H8O2CAS 4341-76-8112.13 g/mol

Open in Covalent MOL file
OO
AlkyneEster

Properties

Molecular formula
C6H8O2
Molar mass
112.13 g/mol
Exact mass
112.0524 Da
Density
0.966 g/mL (at 20 °C)
Boiling point
163 °C
logP
0.57Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
4341-76-8
SMILES
CC#CC(=O)OCC
InChIKey
FCJJZKCJURDYNF-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Butynoic acid, ethyl ester
  • Tetrolic acid, ethyl ester
  • Ethyl tetrolate
  • Ethyl 3-methylpropiolate
  • Ethyl 1-propynecarboxylate

Work with Ethyl 2-butynoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl acetylenedicarboxylate762-21-074 % similar Ethyl 2-pentynoate55314-57-361 % similar Ethyl propiolate623-47-254 % similar Ethyl cyanoformate623-49-454 % similar Ethyl 2-octynoate10519-20-752 % similar Ethyl 2-nonynoate10031-92-250 % similar Ethyl phenylpropiolate2216-94-650 % similar Diethyl carbonate105-58-842 % similar

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

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 3-Methylenecyclobutanecarboxylic acid15760-36-8 5-Methyl-2-furanmethanol3857-25-8

Elsewhere

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