3-Hexyne

C₆H₁₀CAS 928-49-482.15 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

928-49-4

SMILES

CCC#CCC

InChIKey

DQQNMIPXXNPGCV-UHFFFAOYSA-N

InChI

InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3

Weigh 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

1-Bromo-2-pentyne16400-32-160 % similar 1-Chloro-2-pentyne22592-15-060 % similar 3-Heptyne2586-89-260 % similar 2-Pentyn-1-ol6261-22-960 % similar 2-Pentyne627-21-457 % similar 3-Hexyn-1-ol1002-28-453 % similar 3-Octyne15232-76-553 % similar 4-Heptyn-2-ol19781-81-845 % similar

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

Same formula

Cyclohexene110-83-8 3-Methyl-1,4-pentadiene1115-08-8 2-Methyl-1,3-pentadiene1118-58-7 Dimethylbutadiene513-81-5 Trans,trans-2,4-hexadiene5194-51-4 1,5-Hexadiene592-42-7 1,4-Hexadiene592-45-0 2,4-Hexadiene592-46-1

Elsewhere

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