chempirical

1-Ethyl-4-ethynylbenzene

C10H10CAS 40307-11-7130.19 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C10H10
Molar mass
130.19 g/mol
Exact mass
130.0783 Da
logP
2.23Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
40307-11-7
SMILES
C#Cc1ccc(CC)cc1
InChIKey
ZNTJVJSUNSUMPP-UHFFFAOYSA-N
InChI
InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H3

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

Names and synonyms

7 names
  • Benzene, 1-ethyl-4-ethynyl-
  • p-Ethylphenylacetylene
  • p-Ethylethynylbenzene
  • 4-Ethylphenylacetylene
  • 4-Ethyl-1-ethynylbenzene
  • 2-(4-Ethylphenyl)acetylene
  • 1-Ethynyl-4-ethylbenzene

Work with 1-Ethyl-4-ethynylbenzene

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-Pentylphenylacetylene79887-10-859 % similar 1,4-Diethylbenzene105-05-557 % similar 1,4-Diethynylbenzene935-14-857 % similar 4-Ethylbenzonitrile25309-65-356 % similar 4-Ethyl-4′-cyanobiphenyl58743-75-250 % similar 4-Methylphenylacetylene766-97-250 % similar 4-Ethyltoluene622-96-846 % similar 4-Ethynyl-N,N-dimethylaniline17573-94-345 % similar

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

Same formula

2-Methylindene2177-47-1 Dialin447-53-0 1,4-Dihydronaphthalene612-17-9 1-Phenyl-1-butyne622-76-4

Elsewhere

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