chempirical

1,2-Cyclohexane dicarboxylic acid diisononyl ester

C26H48O4CAS 166412-78-8424.67 g/mol

Open in Covalent MOL file
OOOO
Ester

Properties

Molecular formula
C26H48O4
Molar mass
424.67 g/mol
Exact mass
424.3553 Da
Density
0.93 g/mL
logP
7.09Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
16

Identifiers

CAS number
166412-78-8
SMILES
CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
InChIKey
HORIEOQXBKUKGQ-UHFFFAOYSA-N
InChI
InChI=1S/C26H48O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h21-24H,5-20H2,1-4H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester
  • 1,2-Cyclohexanedicarboxylic acid, diisononyl ester
  • Diisononyl hexahydrophthalate
  • Hexamoll DINCH
  • Diisononyl cyclohexane-1,2-dicarboxylate
  • DINCH
  • Bis(isononyl)cyclohexane 1,2-dicarboxylate
  • Flocare 35138
  • Hexamoll
  • Elatur CH
  • Agnique AE 829
  • UN 899
  • UniHydro UN 899

Work with 1,2-Cyclohexane dicarboxylic acid diisononyl ester

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

Diisooctyl maleate1330-76-359 % similar Diisodecyl adipate27178-16-159 % similar Diisooctyl sebacate27214-90-059 % similar Isooctyl mercaptoacetate25103-09-756 % similar Isooctyl methacrylate28675-80-154 % similar Isooctyl acrylate29590-42-954 % similar 1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-753 % similar Isoamyl isobutyrate2050-01-352 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia