1,8-Dioxacyclotetradecane-2,9-dione - CAS 1020-83-3
Catalog: |
BB068091 |
Product Name: |
1,8-Dioxacyclotetradecane-2,9-dione |
CAS: |
1020-83-3 |
Synonyms: |
2-Oxepanone, dimer; Caprolactone cyclic dimer; Dicaprolactone; ε-Caprolactone cyclic dimer |
IUPAC Name: | 1,8-dioxacyclotetradecane-2,9-dione |
Description: | 1,8-Dioxacyclotetradecane-2,9-dione, can be used in synthetic preparation of lipase-catalyzed ring-opening polymerization of molecularly pure cyclic oligomers for use in synthesis and chemical recycling of aliphatic polyesters. |
Molecular Weight: | 228.28 |
Molecular Formula: | C12H20O4 |
Canonical SMILES: | C1CCC(=O)OCCCCCC(=O)OCC1 |
InChI: | InChI=1S/C12H20O4/c13-11-7-3-1-5-9-15-12(14)8-4-2-6-10-16-11/h1-10H2 |
InChI Key: | NUTDOUGNQAMWBU-UHFFFAOYSA-N |
References: | Kondo, A., et al. Macromolecular Bioscience, Vol. 8, Iss. 6, P: 533-539 (2008):. |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.13615911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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