chempirical

1-Acetylcyclohexanol

C8H14O2CAS 1123-27-9142.20 g/mol

Open in Covalent MOL file
OHO
AlcoholKetone

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
logP
1.27Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1123-27-9
SMILES
CC(=O)C1(CCCCC1)O
InChIKey
JKAKPUWJSRMKFH-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-7(9)8(10)5-3-2-4-6-8/h10H,2-6H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-(1-Hydroxycyclohexyl)ethanone
  • Ethanone, 1-(1-hydroxycyclohexyl)-
  • 1-(1-Hydroxycyclohexyl)ethan-1-one
  • 1-(1-Hydroxy-cyclohexyl)-ethanone
  • Ethanone, 1-(hydroxycyclohexyl)-
  • Ethanone,1-(1-hydroxycyclohexyl)-
  • 1-Acetyl-1-cyclohexanol
  • 3-((1R,2S)-2-Amino-1-chloropropyl)phenol

Work with 1-Acetylcyclohexanol

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-Hydroxycyclohexyl phenyl ketone947-19-341 % similar 3-Hydroxy-3-methyl-2-butanone115-22-041 % similar 1-(1-Methylcyclopropyl)ethanone1567-75-541 % similar 1-Acetyladamantane1660-04-437 % similar Trifluoroacetone421-50-133 % similar 1,1,1-Trichloroacetone918-00-333 % similar 1,1-Cyclohexanediacetic acid4355-11-732 % similar 4-Acetyl-4-methylheptanedinitrile1681-17-031 % 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 tert-Butyl 3-butenoate14036-55-6 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

Elsewhere

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