chempirical

Cyclohexyl acetate

C8H14O2CAS 622-45-7142.20 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Density
0.968 g/mL (at 20 °C)
Melting point
−77 °C
Boiling point
173 °C
logP
1.88Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
622-45-7
SMILES
CC(=O)OC1CCCCC1
InChIKey
YYLLIJHXUHJATK-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, cyclohexyl ester
  • Cyclohexanol, acetate
  • NSC 8772
  • Acetoxycyclohexane
  • Acetic acid cyclohexanyl ester
  • Rhodiasolv AC 6

Work with Cyclohexyl 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

4-tert-Butylcyclohexyl acetate32210-23-457 % similar Triacetin102-76-156 % similar Cyclohexyl methacrylate101-43-953 % similar 2-Methylcyclohexyl acetate5726-19-253 % similar Cyclohexyl propionate6222-35-152 % similar Cyclohexyl carbonochloridate13248-54-950 % similar Verdox88-41-548 % similar Cyclohexyl butyrate1551-44-648 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-4 3-Hexenyl acetate1708-82-3

Elsewhere

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