2,5-Dimethyl-1,5-hexadiene

C₈H₁₄CAS 627-58-7110.20 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₈H₁₄
Molar mass: 110.20 g/mol
Exact mass: 110.1096 Da
Density: 0.7423 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

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 5-Methyl-5-hexen-2-one3240-09-363 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oct-3-yne15232-76-5 4-Octyne1942-45-6 2-Octyne2809-67-8 1,7-Octadiene3710-30-3 6-Methyl-2-heptyne51065-64-6 1-Octyne629-05-0 Vinylcyclohexane695-12-5 2,5-Dimethyl-2,4-hexadiene764-13-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook