chempirical

1,6-Diethyl 2,5-dibromohexanedioate

C10H16Br2O4CAS 869-10-3360.04 g/mol

Open in Covalent MOL file
OOBrBrOO
Alkyl halideEster

Properties

Molecular formula
C10H16Br2O4
Molar mass
360.04 g/mol
Exact mass
357.9415 Da
Density
1.5501 g/mL (at 20 °C)
Melting point
75 °C
Boiling point
195 °C (at 10 Torr)
logP
2.42Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Identifiers

CAS number
869-10-3
SMILES
CCOC(=O)C(Br)CCC(Br)C(=O)OCC
InChIKey
UBCNJHBDCUBIPB-UHFFFAOYSA-N
InChI
InChI=1S/C10H16Br2O4/c1-3-15-9(13)7(11)5-6-8(12)10(14)16-4-2/h7-8H,3-6H2,1-2H3

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

Names and synonyms

7 names
  • Hexanedioic acid, 2,5-dibromo-, 1,6-diethyl ester
  • Hexanedioic acid, 2,5-dibromo-, diethyl ester
  • Diethyl 2,5-dibromoadipate
  • Diethyl 2,5-dibromohexanedioate
  • Diethyl α,α′-dibromoadipate
  • 2,5-Dibromohexanedioic acid diethyl ester
  • NSC 49144

Work with 1,6-Diethyl 2,5-dibromohexanedioate

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

Ethyl α-bromovalerate615-83-881 % similar Ethyl 2,4-dibromobutyrate36847-51-579 % similar Ethyl 2-bromohexanoate615-96-376 % similar Ethyl α-bromobutyrate533-68-674 % similar Ethyl 2,3-dibromopropanoate3674-13-371 % similar Ethyl 2-bromotetradecanoate14980-92-871 % similar Ethyl 2-bromooctanoate5445-29-471 % similar Ethyl 2-bromo-2-cyclopropylacetate1200828-74-560 % similar

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

Elsewhere

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