1-Ethyl-4-ethynylbenzene

C₁₀H₁₀CAS 40307-11-7130.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀
Molar mass: 130.19 g/mol
Exact mass: 130.0783 Da
logP: 2.23Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

1-Ethynyl-4-propylbenzene62452-73-765 % similar 1-Butyl-4-eth-1-ynylbenzene79887-09-561 % similar 4-Pentylphenylacetylene79887-10-859 % similar 1,4-Diethylbenzene105-05-557 % similar 1,4-Diethynylbenzene935-14-857 % similar 1-Eth-1-ynyl-4-hexylbenzene79887-11-957 % similar 4-Ethylbenzonitrile25309-65-356 % similar 4'-Diethylaminophenyl acetylene41876-70-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Phenyl-1-butyne16520-62-0 (E)-1-Phenyl-1,3-butadiene16939-57-4 2-Methylindene2177-47-1 Dialin447-53-0 1,4-Dihydronaphthalene612-17-9 1-Phenyl-1-butyne622-76-4 4-Vinylbenzocyclobutene99717-87-0

Elsewhere

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