Catalog Number
ACM26544172-1
Product Name
Diisooctyl azelate
Category
Polymer/Macromolecule
Synonyms
Nonanedioic acid, 1,9-diisooctyl ester
IUPAC Name
Bis(6-methylheptyl) nonanedioate
Molecular Formula
C25H48O4
Canonical SMILES
CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C
InChI
InChI=1S/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3
InChI Key
CYNJQGPDCDNZBL-UHFFFAOYSA-N
Alpha Sort
Diisooctyl azelate
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Hydrogen Bond Acceptor Count
44
Hydrogen Bond Donor Count
0
Monoisotopic Mass
412.35526001
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0