chempirical

1-Octyne

C8H14CAS 629-05-0110.20 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C8H14
Molar mass
110.20 g/mol
Exact mass
110.1096 Da
Density
0.768 g/mL (at 13 °C)
Melting point
−79.3 °C
Boiling point
126.3 °C
logP
2.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
629-05-0
SMILES
C#CCCCCCC
InChIKey
UMIPWJGWASORKV-UHFFFAOYSA-N
InChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Octine
  • Hexylacetylene
  • n-Hexylacetylene
  • 1-Ethynylhexane

Work with 1-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

1-Undecyne2243-98-3100 % similar 1-Heptadecyne26186-00-5100 % similar 1-Tridecyne26186-02-7100 % similar 1-Nonyne3452-09-3100 % similar 1-Hexadecyne629-74-3100 % similar 1-Octadecyne629-89-0100 % similar 1-Decyne764-93-2100 % similar 1-Dodecyne765-03-7100 % similar

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

Same formula

3-Octyne15232-76-5 4-Octyne1942-45-6 2-Octyne2809-67-8 1,7-Octadiene3710-30-3 2,5-Dimethyl-1,5-hexadiene627-58-7 Vinylcyclohexane695-12-5 2,5-Dimethyl-2,4-hexadiene764-13-6 cis-Cyclooctene931-87-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook