chempirical

Diisooctyl maleate

C20H36O4CAS 1330-76-3340.50 g/mol

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AlkeneEster

Properties

Molecular formula
C20H36O4
Molar mass
340.50 g/mol
Exact mass
340.2614 Da
logP
5.06Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
14
Double bonds
ZE/Z, in SMILES order

Identifiers

CAS number
1330-76-3
SMILES
CC(C)CCCCCOC(=O)/C=C\C(=O)OCCCCCC(C)C
InChIKey
QIGLLCHDIZAZFE-YPKPFQOOSA-N
InChI
InChI=1S/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-

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

Names and synonyms

7 names
  • 2-Butenedioic acid (2Z)-, 1,4-diisooctyl ester
  • Maleic acid, diisooctyl ester
  • 2-Butenedioic acid (Z)-, diisooctyl ester
  • 2-Butenedioic acid (2Z)-, diisooctyl ester
  • Isooctyl alcohol, maleate (2:1)
  • DIOM
  • RC Comonomer DIOM

Work with Diisooctyl maleate

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

Isoamyl cinnamate7779-65-949 % similar Monooctyl maleate2370-71-049 % similar 1,4-Dipropyl (2Z)-2-butenedioate2432-63-547 % similar Isobutyl crotonate589-66-246 % similar 1,6-Hexanediol diacrylate13048-33-445 % similar Sodium stearyl fumarate4070-80-845 % similar Amiloxate71617-10-244 % similar Monobutyl maleate925-21-344 % similar

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

Same formula

2-Ethylhexyl fumarate141-02-6 Bis(2-ethylhexyl) maleate142-16-5 Di-N-octyl maleate2915-53-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook