chempirical

8-Chloro-1-octanol

C8H17ClOCAS 23144-52-7164.67 g/mol

Open in Covalent MOL file
HOCl
AlcoholAlkyl halide

Properties

Molecular formula
C8H17ClO
Molar mass
164.67 g/mol
Exact mass
164.0968 Da
Boiling point
125–140 °C (at 18 Torr)
logP
2.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
23144-52-7
SMILES
OCCCCCCCCCl
InChIKey
YDFAJMDFCCJZSI-UHFFFAOYSA-N
InChI
InChI=1S/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2

Weigh it out

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

Names and synonyms

5 names
  • 1-Octanol, 8-chloro-
  • 8-Chlorooctan-1-ol
  • 1-Chlorooctan-8-ol
  • NSC 5514
  • 8-Chlorooctanol

Work with 8-Chloro-1-octanol

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

5-Chloro-1-pentanol5259-98-3100 % similar 1,5-Pentanediol111-29-560 % similar 1,10-Decanediol112-47-060 % similar 1,14-Tetradecanediol19812-64-760 % similar 1,10-Dichlorodecane2162-98-360 % similar 1,8-Dichlorooctane2162-99-460 % similar 1,6-Dichlorohexane2163-00-060 % similar 1,9-Nonanediol3937-56-260 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook