chempirical

Ethyl 6,8-dichlorooctanoate

C10H18Cl2O2CAS 1070-64-0241.15 g/mol

Open in Covalent MOL file
OOClCl
Alkyl halideEster

Properties

Molecular formula
C10H18Cl2O2
Molar mass
241.15 g/mol
Exact mass
240.0684 Da
Density
1.1026 g/mL (at 20 °C)
Boiling point
109 °C (at 0.7 Torr)
logP
3.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
1070-64-0
SMILES
CCOC(=O)CCCCC(Cl)CCCl
InChIKey
RFYDWSNYTVVKBR-UHFFFAOYSA-N
InChI
InChI=1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3

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Names and synonyms

2 names
  • Octanoic acid, 6,8-dichloro-, ethyl ester
  • 6,8-Dichlorooctanoic acid ethyl ester

Work with Ethyl 6,8-dichlorooctanoate

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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