1,4-Cyclohex-2-enedione

C₆H₆O₂CAS 4505-38-8110.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆O₂
Molar mass: 110.11 g/mol
Exact mass: 110.0368 Da
logP: 0.47Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

4505-38-8

SMILES

C1CC(=O)C=CC1=O

InChIKey

GPMMYQITJVUZAT-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-2H,3-4H2

Weigh it out

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

Names and synonyms

4 names

Cyclohex-2-ene-1,4-dione
2-Cyclohexene-1,4-dione
Dihydro-quinone
Cyclohex-2-en-1,4-dion

Work with 1,4-Cyclohex-2-enedione

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

2-Cyclohepten-1-one1121-66-048 % similar 3-Methyl-2-cyclopenten-1-one2758-18-143 % similar 4,4-Dimethyl-2-cyclohexen-1-one1073-13-842 % similar 2-Octen-4-one4643-27-042 % similar 4-Hexen-3-one2497-21-436 % similar 3-Methyl-2-cyclohexen-1-one1193-18-633 % similar 3-Amino-2-cyclohexen-1-one5220-49-533 % similar trans-Crotonyl chloride625-35-433 % similar

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

Same formula

Propargyl acrylate10477-47-1 Resorcinol108-46-3 2-Acetylfuran1192-62-7 Catechol120-80-9 Hydroquinone123-31-9 2,4-Hexadiyne-1,6-diol3031-68-3 5-Methylfurfural620-02-0

Elsewhere

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