chempirical

4-Octyne

C8H14CAS 1942-45-6110.20 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C8H14
Molar mass
110.20 g/mol
Exact mass
110.1096 Da
Density
0.7521 g/mL (at 20 °C)
Melting point
−101 °C
Boiling point
131.6 °C
logP
2.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
1942-45-6
SMILES
CCCC#CCCC
InChIKey
GZTNBKQTTZSQNS-UHFFFAOYSA-N
InChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Dipropylacetylene
  • 1,2-Dipropylacetylene
  • Dipropylethyne

Work with 4-Octyne

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

3-Heptyne2586-89-273 % similar 3-Heptyn-1-ol14916-79-165 % similar 2-Hexyn-1-ol764-60-365 % similar 2-Hexyne764-35-263 % similar 5-Decyne1942-46-760 % similar Trimethyl-1-pentyn-1-ylsilane18270-17-253 % similar 5-Dodecyne19780-12-250 % similar Butyronitrile109-74-047 % similar

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

Same formula

3-Octyne15232-76-5 2-Octyne2809-67-8 1,7-Octadiene3710-30-3 2,5-Dimethyl-1,5-hexadiene627-58-7 1-Octyne629-05-0 Vinylcyclohexane695-12-5 2,5-Dimethyl-2,4-hexadiene764-13-6 cis-Cyclooctene931-87-3

Elsewhere

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