chempirical

3-Acetoxy-2-cyclohexen-1-one

C8H10O3CAS 57918-73-7154.16 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C8H10O3
Molar mass
154.16 g/mol
Exact mass
154.0630 Da
logP
1.19Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

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
57918-73-7
SMILES
CC(=O)OC1=CC(=O)CCC1
InChIKey
WCOGDENGOYPPMR-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O3/c1-6(9)11-8-4-2-3-7(10)5-8/h5H,2-4H2,1H3

Weigh it out

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

Work with 3-Acetoxy-2-cyclohexen-1-one

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

1-Cyclohexenyl acetate1424-22-255 % similar 3-Ethoxycyclohex-2-ene-1-one5323-87-555 % similar 3-Methyl-2-cyclohexen-1-one1193-18-652 % similar 3-Amino-2-cyclohexen-1-one5220-49-542 % similar Acetic anhydride108-24-740 % similar 3-Methyl-2-cyclopenten-1-one2758-18-140 % similar 1,3-Diacetoxypropane628-66-037 % similar Butylene glycol diacetate628-67-137 % similar

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

Same formula

Hydroxytyrosol10597-60-1 cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-3 2,5-Dimethoxyphenol18113-18-3 3,4-Dimethoxyphenol2033-89-8 (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-1 2-Hydroxy-3-methoxybenzenemethanol4383-05-5 Isovanillyl alcohol4383-06-6 Vanillyl alcohol498-00-0

Elsewhere

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