3-Hexyne
Properties
- Molecular formula
- C6H10
- Molar mass
- 82.15 g/mol
- Exact mass
- 82.0783 Da
- Density
- 0.7231 g/mL (at 20 °C)
- Melting point
- −103 °C
- Boiling point
- 81 °C
- logP
- 1.81Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor97.8% of notifiers
- H304 May be fatal if swallowed and enters airways100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
928-49-4SMILES
CCC#CCCInChIKey
DQQNMIPXXNPGCV-UHFFFAOYSA-NInChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- Diethylacetylene
Work with 3-Hexyne
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
3,9-Dodecadiyne61827-89-264 % similar
1-Bromopent-2-yne16400-32-160 % similar
1-Chloro-2-pentyne22592-15-060 % similar
Hept-3-yne2586-89-260 % similar
2-Pentyn-1-ol6261-22-960 % similar
2-Pentyne627-21-457 % similar
3-Hexyn-1-ol1002-28-453 % similar
Oct-3-yne15232-76-553 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.