1-Hexyn-1-ylbenzene

C₁₂H₁₄CAS 1129-65-3158.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄
Molar mass: 158.24 g/mol
Exact mass: 158.1096 Da
Density: 0.899 g/mL (at 17 °C)
Boiling point: 119–121 °C (at 18 Torr)
logP: 3.23Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

1129-65-3

SMILES

CCCCC#Cc1ccccc1

InChIKey

VBRLZTLFLNZEPZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-hexyn-1-yl-
1-Hexyne, 1-phenyl-
Benzene, 1-hexynyl-
1-Phenyl-1-hexyne
1-Butyl-2-phenylacetylene
Butylphenylacetylene
(1-Hexyn-1-yl)benzene
Hex-1-ynylbenzene

Work with 1-Hexyn-1-ylbenzene

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-Heptyn-1-ylbenzene14374-45-988 % similar 1-Pentyn-1-ylbenzene4250-81-177 % similar 4-(1-Hexyn-1-yl)benzaldehyde175203-90-459 % similar 1-Phenyl-1-butyne622-76-457 % similar 5-Decyne1942-46-748 % similar 3-Phenyl-2-propyn-1-ol1504-58-147 % similar n-Butylbenzene104-51-846 % similar Pentylbenzene538-68-145 % similar

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

Same formula

1,3-Diisopropenylbenzene3748-13-8 1-Phenylcyclohexene771-98-2 Styrene-butadiene9003-55-8

Elsewhere

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