chempirical

Trans,trans-2,4-hexadiene

C6H10CAS 5194-51-482.15 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C6H10
Molar mass
82.15 g/mol
Exact mass
82.0783 Da
Melting point
−44.9 °C
Boiling point
82.2 °C
logP
2.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
5194-51-4
SMILES
C/C=C/C=C/C
InChIKey
APPOKADJQUIAHP-GGWOSOGESA-N
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2,4-Hexadiene, (2E,4E)-
  • 2,4-Hexadiene, (E,E)-
  • (2E,4E)-2,4-Hexadiene
  • (2E,4E)-Hexadiene
  • (E,E)-2,4-Hexadiene
  • Trans,trans-1,4-Dimethyl-1,3-butadiene

Work with Trans,trans-2,4-hexadiene

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

But-2-ene107-01-750 % similar Sorbaldehyde142-83-650 % similar cis-2-Butene590-18-150 % similar trans-2-Butene624-64-650 % similar trans-Crotonaldehyde123-73-946 % similar trans-1,3-Pentadiene2004-70-846 % similar Crotonaldehyde4170-30-346 % similar Piperylene504-60-946 % 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 1,5-Hexadiene592-42-7 1,4-Hexadiene592-45-0 2,4-Hexadiene592-46-1 1,3-Hexadiene592-48-3

Elsewhere

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