chempirical

Cyclooctanol

C8H16OCAS 696-71-9128.22 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
0.9663 g/mL (at 17 °C)
Melting point
25.1 °C
Boiling point
106–108 °C (at 22 Torr)
logP
2.09Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
696-71-9
SMILES
OC1CCCCCCC1
InChIKey
FHADSMKORVFYOS-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2

Weigh it out

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

Names and synonyms

2 names
  • NSC 60162
  • Cyclooctyl alcohol

Work with Cyclooctanol

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

Cyclohexanol108-93-0100 % similar Cyclododecanol1724-39-6100 % similar Cycloheptanol502-41-0100 % similar Cyclopentanol96-41-392 % similar Cyclobutanol2919-23-577 % similar Cyclopropanol16545-68-962 % similar 1,4-Cyclohexanediol556-48-962 % similar trans-1,4-Cyclohexanediol6995-79-562 % 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

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