chempirical

Ethyl 8-chloro-6-hydroxyoctanoate

C10H19ClO3CAS 1070-65-1222.71 g/mol

Open in Covalent MOL file
OOOHCl
AlcoholAlkyl halideEster

Properties

Molecular formula
C10H19ClO3
Molar mass
222.71 g/mol
Exact mass
222.1023 Da
Density
1.0826 g/mL (at 20 °C)
Boiling point
121 °C (at 0.5 Torr)
logP
2.10Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
1070-65-1
SMILES
CCOC(=O)CCCCC(O)CCCl
InChIKey
YSFJHUHDLIFMPB-UHFFFAOYSA-N
InChI
InChI=1S/C10H19ClO3/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9,12H,2-8H2,1H3

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Names and synonyms

3 names
  • Octanoic acid, 8-chloro-6-hydroxy-, ethyl ester
  • 6-Hydroxy-8-chlorooctanoic acid ethyl ester
  • 6-Hydroxy-8-chlorocaprylate

Work with Ethyl 8-chloro-6-hydroxyoctanoate

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

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

Elsewhere

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