Diisooctyl sebacate

C₂₆H₅₀O₄CAS 27214-90-0426.68 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₆H₅₀O₄
Molar mass: 426.68 g/mol
Exact mass: 426.3709 Da
logP: 7.63Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 21

Identifiers

CAS number

27214-90-0

SMILES

CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C

InChIKey

ZWYAVGUHWPLBGT-UHFFFAOYSA-N

InChI

InChI=1S/C26H50O4/c1-23(2)17-11-9-15-21-29-25(27)19-13-7-5-6-8-14-20-26(28)30-22-16-10-12-18-24(3)4/h23-24H,5-22H2,1-4H3

Weigh it out

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

Names and synonyms

7 names

Decanedioic acid, 1,10-diisooctyl ester
Sebacic acid, diisooctyl ester
Decanedioic acid, diisooctyl ester
Isooctyl alcohol, sebacate (2:1)
PX 408
DIOS
Oh sung 1321

Work with Diisooctyl sebacate

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

Isodecyl pelargonate109-32-084 % similar Isooctyl palmitate1341-38-484 % similar Isooctyl mercaptoacetate25103-09-770 % similar Isoamyl octanoate2035-99-668 % similar Isoamyl laurate6309-51-968 % similar Pentadecalactone106-02-567 % similar Hexadecanolide109-29-567 % similar Polycaprolactone24980-41-467 % similar

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

Same formula

Dioctyl sebacate122-62-3 Dioctyl decanedioate2432-87-3 Diisodecyl adipate27178-16-1

Elsewhere

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