chempirical

3-Octyne

C8H14CAS 15232-76-5110.20 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C8H14
Molar mass
110.20 g/mol
Exact mass
110.1096 Da
Density
0.7529 g/mL (at 20 °C)
Melting point
−103.9 °C
Boiling point
133.1 °C
logP
2.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
15232-76-5
SMILES
CCC#CCCCC
InChIKey
UDEISTCPVNLKRJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-5,7H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 1-Ethyl-2-butylacetylene
  • Ethylbutyl acetylene
  • Butylethylacetylene

Work with 3-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

5-Decyne1942-46-776 % similar 3-Heptyne2586-89-268 % similar 5-Dodecyne19780-12-265 % similar 2-Heptyn-1-ol1002-36-457 % similar 3-Octyn-1-ol14916-80-457 % similar 2-Heptyne1119-65-955 % similar 1,5-Decadiyne53963-03-454 % similar 3-Hexyne928-49-453 % similar

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

Same formula

4-Octyne1942-45-6 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

PubChem CAS Common Chemistry NIST WebBook