chempirical

Diisooctyl 1,2-cyclohexanedicarboxylate

C24H44O4CAS 84-71-9396.61 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C24H44O4
Molar mass
396.61 g/mol
Exact mass
396.3240 Da
logP
6.31Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
14

Identifiers

CAS number
84-71-9
SMILES
CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC
InChIKey
DIMOQAGSNHTROK-UHFFFAOYSA-N
InChI
InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3

Weigh it out

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

Names and synonyms

8 names
  • 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
  • 1,2-Cyclohexanedicarboxylic acid, bis(2-ethylhexyl) ester
  • Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate
  • Bis(2-ethylhexyl) hexahydrophthalate
  • Di(2-ethylhexyl) hexahydrophthalate
  • Dioctyl 1,2-cyclohexanedicarboxylate
  • Bis(2-ethylhexyl) cyclohexane-1,2-carboxylate
  • Nan ya DPEH

Work with Diisooctyl 1,2-cyclohexanedicarboxylate

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

2-Ethylhexyl acetate103-09-361 % similar 2-Ethylhexyl peroxydicarbonate16111-62-961 % similar 2-Ethylhexyl chloroformate24468-13-161 % similar Bis(2-ethylhexyl) adipate103-23-159 % similar 2-Ethylhexyl fumarate141-02-659 % similar Bis(2-ethylhexyl) maleate142-16-559 % similar Dioctyl azelate103-24-258 % similar Dioctyl sebacate122-62-358 % similar

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

Same formula

1,1′-[1,4-Cyclohexanediylbis(methylene)] bis(2-ethylhexanoate)53148-32-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook