chempirical

5-Chloro-1-pentanol

C5H11ClOCAS 5259-98-3122.59 g/mol

Open in Covalent MOL file
HOCl
AlcoholAlkyl halide

Properties

Molecular formula
C5H11ClO
Molar mass
122.59 g/mol
Exact mass
122.0498 Da
Density
1.0436 g/mL (at 20 °C)
Boiling point
112 °C (at 12 Torr)
logP
1.39Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
5259-98-3
SMILES
OCCCCCCl
InChIKey
DCBJCKDOZLTTDW-UHFFFAOYSA-N
InChI
InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2

Weigh it out

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

Names and synonyms

6 names
  • 1-Pentanol, 5-chloro-
  • Pentamethylene chlorohydrin
  • 5-Chloropentanol
  • ω-Chloropentanol
  • NSC 1107
  • 1-Chloro-5-pentanol

Work with 5-Chloro-1-pentanol

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

8-Chloro-1-octanol23144-52-7100 % 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

Same formula

3-Chloro-2,2-dimethylpropanol13401-56-4 1-Chloro-4-methoxybutane17913-18-7 1-(2-Chloroethoxy)propane42149-74-6

Elsewhere

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