5-Decyne
Properties
- Molecular formula
- C10H18
- Molar mass
- 138.25 g/mol
- Exact mass
- 138.1409 Da
- Density
- 0.769 g/mL (at 20 °C)
- Melting point
- −73 °C
- Boiling point
- 177 °C
- logP
- 3.37Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways28.6% of notifiers
- H314 Causes severe skin burns and eye damage14.3% of notifiers
- H318 Causes serious eye damage14.3% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P331, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
1942-46-7SMILES
CCCCC#CCCCCInChIKey
JWBQJUFCNOLNNC-UHFFFAOYSA-NInChI
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Dibutylacetylene
- 1,2-Dibutylacetylene
- NSC 135002
Work with 5-Decyne
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
4-Nonyne20184-91-287 % similar
5-Undecyne2294-72-687 % similar
5-Dodecyne19780-12-281 % similar
6-Dodecyne6975-99-180 % similar
Oct-3-yne15232-76-576 % similar
2-Heptyn-1-ol1002-36-468 % similar
3-Octyn-1-ol14916-80-468 % similar
1-Chloro-4-nonyne3416-74-868 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds