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

C₂₄H₄₄O₄CAS 53148-32-6396.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₄₄O₄
Molar mass: 396.61 g/mol
Exact mass: 396.3240 Da
logP: 6.31Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 14

Identifiers

CAS number

53148-32-6

SMILES

CCCCC(CC)C(=O)OCC1CCC(COC(=O)C(CC)CCCC)CC1

InChIKey

WZCWEBVKSPNNNN-UHFFFAOYSA-N

InChI

InChI=1S/C24H44O4/c1-5-9-11-21(7-3)23(25)27-17-19-13-15-20(16-14-19)18-28-24(26)22(8-4)12-10-6-2/h19-22H,5-18H2,1-4H3

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

Names and synonyms

4 names

Hexanoic acid, 2-ethyl-, 1,1′-[1,4-cyclohexanediylbis(methylene)] ester
Hexanoic acid, 2-ethyl-, 1,4-cyclohexanediylbis(methylene) ester
1,4-Cyclohexanedimethanol bis(2-ethylhexanoate)
1,4-Cyclohexylenedimethylene bis(2-ethylhexanoate)

Work with 1,1′-[1,4-Cyclohexanediylbis(methylene)] bis(2-ethylhexanoate)

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

Eastman teg-eh94-28-069 % similar tert-Butyl peroxy-2-ethylhexanoate3006-82-458 % similar Vinyl 2-ethylhexanoate94-04-258 % similar 2-Ethylhexyl acetate103-09-350 % similar 2-Ethylhexanoic acid149-57-550 % similar 2-Ethylhexyl peroxydicarbonate16111-62-950 % similar Rhodium(III) 2-ethylhexanoate20845-92-550 % similar 2-Ethylhexyl chloroformate24468-13-150 % similar

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

Same formula

Diisooctyl 1,2-cyclohexanedicarboxylate84-71-9

Elsewhere

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