chempirical

Ethyl 2-pentynoate

C7H10O2CAS 55314-57-3126.15 g/mol

Open in Covalent MOL file
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AlkyneEster

Properties

Molecular formula
C7H10O2
Molar mass
126.15 g/mol
Exact mass
126.0681 Da
Density
0.954 g/mL (at 20 °C)
Boiling point
64–66 °C (at 9 Torr)
logP
0.96Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
55314-57-3
SMILES
CCC#CC(=O)OCC
InChIKey
XDPRPKSTFBPPHU-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 2-Pentynoic acid, ethyl ester
  • NSC 190964
  • Ethyl 3-ethyl-2-propynoate

Work with Ethyl 2-pentynoate

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

Diethyl acetylenedicarboxylate762-21-071 % similar Ethyl 2-butynoate4341-76-861 % similar Ethyl 2-octynoate10519-20-759 % similar Ethyl 2-nonynoate10031-92-258 % similar Ethyl propiolate623-47-252 % similar Ethyl cyanoformate623-49-452 % similar Ethyl phenylpropiolate2216-94-649 % similar Diethyl carbonate105-58-841 % similar

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

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl-1,2-cyclopentanedione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 Methyl 2,4-hexadienoate1515-80-6 2-Acetylcyclopentanone1670-46-8 2-Propen-1-yl 2-butenoate20474-93-5 3-Ethyl-2-hydroxy-2-cyclopenten-1-one21835-01-8

Elsewhere

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