chempirical

Cyclohexylethanol

C8H16OCAS 4442-79-9128.22 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C8H16O
Molar mass
128.22 g/mol
Exact mass
128.1201 Da
Density
0.9165 g/mL (at 25 °C)
Melting point
−20 °C
Boiling point
208 °C
logP
1.95Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
4442-79-9
SMILES
OCCC1CCCCC1
InChIKey
QJQZRLXDLORINA-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2

Weigh it out

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

Names and synonyms

7 names
  • Cyclohexaneethanol
  • β-Cyclohexylethyl alcohol
  • 2-Cyclohexylethanol
  • Cyclohexylethyl alcohol
  • 2-Cyclohexyl-1-ethanol
  • NSC 30157
  • 2-Cyclohexaneethanol

Work with Cyclohexylethanol

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

Cyclopentaneethanol766-00-793 % similar 2-Cyclopropylethanol2566-44-169 % similar Cyclohexylmethanol100-49-253 % similar 4-Piperidineethanol622-26-452 % similar Propylcyclohexane1678-92-850 % similar Butylcyclohexane1678-93-950 % similar Pentylcyclohexane4292-92-650 % similar Heptylcyclohexane5617-41-450 % similar

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

Same formula

3-Octanone106-68-3 2-Octanone111-13-7 1-Cyclohexylethanol1193-81-3 2-Ethylhexanal123-05-7 Octanal124-13-0 2-Methyl-3-heptanone13019-20-0 2,2,5,5-Tetramethyltetrahydrofuran15045-43-9 (E)-2-Octen-1-ol18409-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook