Oct-3-yne
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
Hazards
Danger
- H225 Highly Flammable liquid and vapor75% of notifiers
- H226 Flammable liquid and vapor25% of notifiers
- H304 May be fatal if swallowed and enters airways25% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
15232-76-5SMILES
CCC#CCCCCInChIKey
UDEISTCPVNLKRJ-UHFFFAOYSA-NInChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-5,7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 3-Octyne
- 1-Ethyl-2-butylacetylene
- Ethylbutyl acetylene
- Butylethylacetylene
Work with Oct-3-yne
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-Nonyne20184-89-884 % similar
3-Decyne2384-85-280 % similar
3-Undecyne60212-30-880 % similar
5-Decyne1942-46-776 % similar
3,9-Dodecadiyne61827-89-272 % similar
4-Nonyne20184-91-268 % similar
5-Undecyne2294-72-668 % similar
3-Heptyne2586-89-268 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds