2,5-Dimethyl-1,5-hexadiene

C₈H₁₄CAS 627-58-7110.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄
Molar mass: 110.20 g/mol
Exact mass: 110.1096 Da
Density: 0.7423 g/mL (at 20 °C)
Melting point: −75.6 °C
Boiling point: 114.3 °C
logP: 2.92Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

627-58-7

SMILES

C=C(C)CCC(=C)C

InChIKey

DSAYAFZWRDYBQY-UHFFFAOYSA-N

InChI

InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3

Weigh it out

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

Names and synonyms

4 names

1,5-Hexadiene, 2,5-dimethyl-
Dimethallyl
Bimethallyl
NSC 10813

Work with 2,5-Dimethyl-1,5-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

2-Methyl-1-pentene763-29-165 % similar Isoprenol763-32-661 % similar 2-Methyl-1-hexene6094-02-658 % similar 2-Methyl-1-heptene15870-10-755 % similar 2-Methyl-1-butene563-46-253 % similar Methallyl bromide1458-98-650 % similar Methallyl alcohol513-42-850 % similar Methallyl chloride563-47-350 % 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 1-Octyne629-05-0 Vinylcyclohexane695-12-5 2,5-Dimethyl-2,4-hexadiene764-13-6 cis-Cyclooctene931-87-3

Elsewhere

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