chempirical

Spirodiclofen

C21H24Cl2O4CAS 148477-71-8411.32 g/mol

Open in Covalent MOL file
OOClClOO
AlkeneAryl halideEsterLactone

Properties

Molecular formula
C21H24Cl2O4
Molar mass
411.32 g/mol
Exact mass
410.1052 Da
logP
5.94Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
148477-71-8
SMILES
CCC(C)(C)C(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)OC12CCCCC2
InChIKey
DTDSAWVUFPGDMX-UHFFFAOYSA-N
InChI
InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3

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Names and synonyms

7 names
  • Butanoic acid, 2,2-dimethyl-, 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl ester
  • 1-Oxaspiro[4.5]decane, butanoic acid deriv.
  • 3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate
  • BAJ 2740
  • Envidor
  • Luomanshuangzhi
  • C21H24Cl2O4

Work with Spirodiclofen

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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