chempirical

2,5-Dimethyl-2,4-hexadiene

C8H14CAS 764-13-6110.20 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C8H14
Molar mass
110.20 g/mol
Exact mass
110.1096 Da
Density
0.7646 g/mL (at 17.8 °C)
Melting point
14 °C
Boiling point
134.5 °C
logP
2.92Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
764-13-6
SMILES
CC(C)=CC=C(C)C
InChIKey
DZPCYXCBXGQBRN-UHFFFAOYSA-N
InChI
InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • 2,4-Hexadiene, 2,5-dimethyl-
  • Biisobutenyl
  • Biisocrotyl
  • Diisocrotyl
  • NSC 10812
  • 1,1,4,4-Tetramethylbuta-1,3-diene

Work with 2,5-Dimethyl-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

3-Methyl-2-butenal107-86-853 % similar 4-Methyl-1,3-pentadiene926-56-753 % similar 2-Methyl-2-butene513-35-943 % similar 6-Methylhepta-3,5-dien-2-one1604-28-040 % similar Allo-ocimene673-84-738 % similar 2,4,4-Trimethyl-2-pentene107-40-435 % similar Phorone504-20-135 % similar 2-Methyl-2-pentene625-27-435 % similar

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

Same formula

3-Octyne15232-76-5 4-Octyne1942-45-6 2-Octyne2809-67-8 1,7-Octadiene3710-30-3 2,5-Dimethyl-1,5-hexadiene627-58-7 1-Octyne629-05-0 Vinylcyclohexane695-12-5 cis-Cyclooctene931-87-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook