trans-2-Hexene

C₆H₁₂CAS 4050-45-784.16 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₆H₁₂
Molar mass: 84.16 g/mol
Exact mass: 84.0939 Da
Density: 0.6785 g/mL (at 20 °C)
Melting point: −133 °C
Boiling point: 67.9 °C
logP: 2.36Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways65.8% of notifiers
H315 Causes skin irritation80.3% of notifiers
H319 Causes serious eye irritation80.3% of notifiers
H335 May cause respiratory irritation80.3% of notifiers

Aggregated from 76 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

4050-45-7

SMILES

C/C=C/CCC

InChIKey

RYPKRALMXUUNKS-HWKANZROSA-N

InChI

InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+

Weigh it out

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

Names and synonyms

7 names

2-Hexene, (2E)-
2-Hexene, (E)-
2-Hexene, trans-
(2E)-2-Hexene
(E)-2-Hexene
NSC 74123
Hexene

Work with trans-2-Hexene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hex-2-ene592-43-8Stereo not defined

Similar compounds

trans-4-Octene14850-23-867 % similar 2-Heptene592-77-867 % similar cis-2-Heptene6443-92-167 % similar cis-4-Octene7642-15-167 % similar 2-Octene111-67-163 % similar 2-Octene13389-42-963 % similar (2E)-2-Nonene6434-78-260 % similar trans-3-Heptene14686-14-753 % similar

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

Same formula

Cyclohexane110-82-7 Cyclohexane-D121735-17-7 Neohexene558-37-2 2,3-Dimethyl-1-butene563-78-0 Tetramethylethylene563-79-1 1-Hexene592-41-6 3-Hexene592-47-2

Elsewhere

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