2,4-Hexadiyne

C6H6CAS 2809-69-078.11 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C6H6
Molar mass
78.11 g/mol
Exact mass
78.0470 Da
Melting point
67.8 °C
Boiling point
129.5 °C
logP
1.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P280, P370+P378

Identifiers

CAS number
2809-69-0
SMILES
CC#CC#CC
InChIKey
PCTCNWZFDASPLA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3

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Names and synonyms

2 names
  • Dimethyldiacetylene
  • Dimethylbutadiyne

Work with 2,4-Hexadiyne

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

2-Butyne503-17-356 % similar 1-(Trimethylsilyl)prop-1-yne6224-91-531 % similar 2-Pentyne627-21-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Deuterated benzene1076-43-3 1,5-Hexadiyne628-16-0 Benzene71-43-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook