Di-tert-butyl Adipate - CAS 20270-53-5
Catalog: |
BB015748 |
Product Name: |
Di-tert-butyl Adipate |
CAS: |
20270-53-5 |
Synonyms: |
hexanedioic acid ditert-butyl ester; ditert-butyl hexanedioate |
IUPAC Name: | ditert-butyl hexanedioate |
Description: | Di-tert-butyl Adipate (CAS# 20270-53-5 ) is a useful research chemical. |
Molecular Weight: | 258.35 |
Molecular Formula: | C14H26O4 |
Canonical SMILES: | CC(C)(C)OC(=O)CCCCC(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H26O4/c1-13(2,3)17-11(15)9-7-8-10-12(16)18-14(4,5)6/h7-10H2,1-6H3 |
InChI Key: | QSVAYRBPFFOQMK-UHFFFAOYSA-N |
LogP: | 3.23020 |
Publication Number | Title | Priority Date |
EP-3491044-A1 | Method of regioselective synthesis of polyesters from asymmetric diols | 20160727 |
JP-2019523323-A | Regioselective synthesis of polyesters from asymmetric diols | 20160727 |
KR-20190036534-A | Method of positionally selective synthesis of polyester from asymmetric diol | 20160727 |
US-2020181319-A1 | Method of regioselective synthesis of polyesters from asymmetric diols | 20160727 |
WO-2018020440-A1 | Method of regioselective synthesis of polyesters from asymmetric diols | 20160727 |
PMID | Publication Date | Title | Journal |
22389769 | 20110101 | Effect of alcohol structure on the optimum condition for novozym 435-catalyzed synthesis of adipate esters | Biotechnology research international |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.18310931 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.18310931 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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