1,3,5-Hexatriene

C₆H₈CAS 2235-12-380.13 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₆H₈
Molar mass: 80.13 g/mol
Exact mass: 80.0626 Da
logP: 1.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H304 May be fatal if swallowed and enters airways92.9% of notifiers
H319 Causes serious eye irritation92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P301+P317, P303+P361+P353, P305+P351+P338, P330, P331, P337+P317, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

2235-12-3

SMILES

C=CC=CC=C

InChIKey

AFVDZBIIBXWASR-UHFFFAOYSA-N

InChI

InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2

Weigh it out

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

Names and synonyms

3 names

Hexa-1,3,5-triene
Hexatriene
Hextriene

Reactions

1,3,5-Hexatrieneproduct

Work with 1,3,5-Hexatriene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butadiene106-99-056 % similar trans-1,3-Pentadiene2004-70-854 % similar Piperylene504-60-954 % similar 1-Methoxy-1,3-butadiene3036-66-641 % similar Hexadiene42296-74-241 % similar 1,3-Hexadiene592-48-341 % similar Acrolein107-02-836 % similar (E)-1-Phenyl-1,3-butadiene16939-57-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1,3-cyclopentadiene26519-91-5 Cyclopropylidene cyclopropane27567-82-4 Cyclohexa-1,3-diene592-57-4 Cyclohexa-1,4-diene628-41-1

Elsewhere

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