1,3-Hexadiene

C₆H₁₀CAS 592-48-382.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀
Molar mass: 82.15 g/mol
Exact mass: 82.0783 Da
Density: 0.7152 g/mL (at 22 °C)
Melting point: 72–74 °C
Boiling point: 72–75 °C
logP: 2.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

592-48-3

SMILES

C=CC=CCC

InChIKey

AHAREKHAZNPPMI-UHFFFAOYSA-N

InChI

InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3

Weigh it out

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

Work with 1,3-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-Hexene592-47-247 % similar (E)-2-Pentenal1576-87-045 % similar (2E,4E)-2,4-Heptadien-1-ol33467-79-743 % similar (E,E)-2,4-Heptadienal4313-03-542 % similar 2,4-Heptadienal5910-85-042 % similar 1-Butene106-98-940 % similar 2-Pentene109-68-240 % similar trans-1,3-Pentadiene2004-70-840 % similar

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

Same formula

Cyclohexene110-83-8 3-Methyl-1,4-pentadiene1115-08-8 2-Methyl-1,3-pentadiene1118-58-7 Dimethylbutadiene513-81-5 Trans,trans-2,4-hexadiene5194-51-4 1,5-Hexadiene592-42-7 1,4-Hexadiene592-45-0 2,4-Hexadiene592-46-1

Elsewhere

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