chempirical

2-Hexyne

C6H10CAS 764-35-282.15 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C6H10
Molar mass
82.15 g/mol
Exact mass
82.0783 Da
Density
0.7352 g/mL (at 15 °C)
Melting point
−89.6 °C
Boiling point
84.5 °C
logP
1.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
764-35-2
SMILES
CC#CCCC
InChIKey
MELUCTCJOARQQG-UHFFFAOYSA-N
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • 1-Methyl-2-propylacetylene
  • Methyl(propyl)acetylene

Work with 2-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

2-Heptyne1119-65-968 % similar 2-Octyne2809-67-865 % similar 4-Octyne1942-45-663 % similar 2-Pentyne627-21-456 % similar 3-Heptyne2586-89-250 % similar 3-Pentyn-1-ol10229-10-448 % similar 3-Heptyn-1-ol14916-79-145 % similar 2-Hexyn-1-ol764-60-345 % 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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