chempirical

1-Cyclohexenyl acetate

C8H12O2CAS 1424-22-2140.18 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C8H12O2
Molar mass
140.18 g/mol
Exact mass
140.0837 Da
Density
1.011 g/mL (at 20 °C)
Boiling point
180–181 °C
logP
2.01Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
1424-22-2
SMILES
CC(=O)OC1=CCCCC1
InChIKey
DRJNNZMCOCQJGI-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-7(9)10-8-5-3-2-4-6-8/h5H,2-4,6H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Cyclohexen-1-ol, 1-acetate
  • 1-Cyclohexen-1-ol, acetate
  • Cyclohexen-1-ol acetate
  • 1-Acetoxycyclohexene
  • 1-Acetoxy-1-cyclohexene
  • 1-Cyclohexen-1-yl acetate
  • 1-(Acetyloxy)-1-cyclohexene
  • NSC 18899
  • Acetic acid 1-cyclohexenyl ester

Work with 1-Cyclohexenyl acetate

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

1-(Trimethylsiloxy)cyclohexene6651-36-148 % similar Methylcyclohexene591-49-141 % similar 1-[(Trimethylsilyl)oxy]cyclopentene19980-43-941 % similar Acetic anhydride108-24-740 % similar 1,3-Diacetoxypropane628-66-037 % similar Butylene glycol diacetate628-67-137 % similar Prenyl acetate1191-16-836 % similar 4-Penten-1-yl acetate1576-85-836 % similar

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

Same formula

Vinylcyclohexene dioxide106-87-6 Dimedone126-81-8 2,4-Hexadienyl acetate1516-17-2 1-Cyclohexene-1-acetic acid18294-87-6 Methyl 1-cyclohexene-1-carboxylate18448-47-0 Ethyl cyclopent-3-enecarboxylate21622-01-5 Ethyl sorbate2396-84-1 3-Ethoxy-2-cyclohexen-1-one5323-87-5

Elsewhere

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