chempirical

1-Hexyne

C6H10CAS 693-02-782.15 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C6H10
Molar mass
82.15 g/mol
Exact mass
82.0783 Da
Density
0.7193 g/mL (at 15 °C)
Melting point
−131.9 °C
Boiling point
71.3 °C
logP
1.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
693-02-7
SMILES
C#CCCCC
InChIKey
CGHIBGNXEGJPQZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3

Weigh it out

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

Names and synonyms

4 names
  • Butylacetylene
  • n-Butylacetylene
  • NSC 9709
  • 1-Hexyn

Reactions

Work with 1-Hexyne

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

1-Heptyne628-71-783 % similar 1-Undecyne2243-98-379 % similar 1-Heptadecyne26186-00-579 % similar 1-Tridecyne26186-02-779 % similar 1-Nonyne3452-09-379 % similar 1-Octyne629-05-079 % similar 1-Hexadecyne629-74-379 % similar 1-Octadecyne629-89-079 % similar

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

Same formula

Cyclohexene110-83-8 3-Methyl-1,4-pentadiene1115-08-8 2-Methyl-1,3-pentadiene1118-58-7 Dimethylbutadiene513-81-5 Trans,trans-2,4-hexadiene5194-51-4 1,5-Hexadiene592-42-7 1,4-Hexadiene592-45-0 2,4-Hexadiene592-46-1

Elsewhere

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