Cyclohexa-1,4-diene

C₆H₈CAS 628-41-180.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈
Molar mass: 80.13 g/mol
Exact mass: 80.0626 Da
Density: 0.8569 g/mL (at 20 °C)
Melting point: −49.2 °C
Boiling point: 85.5 °C
logP: 1.89Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

628-41-1

SMILES

C1=CCC=CC1

InChIKey

UVJHQYIOXKWHFD-UHFFFAOYSA-N

InChI

InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2

Weigh it out

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Names and synonyms

2 names

1,4-Cyclohexadiene
1,4-Dihydrobenzene

Work with Cyclohexa-1,4-diene

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

Cyclopentadiene542-92-756 % similar Cycloheptatriene544-25-250 % similar 1,5-Cyclooctadiene111-78-433 % similar 1,5-Cyclooctadiene1552-12-133 % similar 1,5,9-Cyclododecatriene4904-61-433 % similar Trans,trans,trans-1,5,9-Cyclododecatriene676-22-233 % similar Cyclododecatriene706-31-033 % similar Cyclobutene822-35-533 % similar

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

Same formula

1,3,5-Hexatriene2235-12-3 1-Methyl-1,3-cyclopentadiene26519-91-5 Cyclopropylidene cyclopropane27567-82-4 Cyclohexa-1,3-diene592-57-4

Elsewhere

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