2-Dodecyltetradecanoic Acid Ethyl Ester - CAS 24257-39-4
Catalog: |
BB067909 |
Product Name: |
2-Dodecyltetradecanoic Acid Ethyl Ester |
CAS: |
24257-39-4 |
Synonyms: |
Ethyl 2-Dodecyltetradecanoate |
IUPAC Name: | ethyl 2-dodecyltetradecanoate |
Description: | 2-Dodecyltetradecanoic Acid Ethyl Ester is used in the preparation of polyalkylacetic acids. |
Molecular Weight: | 424.74 |
Molecular Formula: | C28H56O2 |
Canonical SMILES: | CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OCC |
InChI: | InChI=1S/C28H56O2/c1-4-7-9-11-13-15-17-19-21-23-25-27(28(29)30-6-3)26-24-22-20-18-16-14-12-10-8-5-2/h27H,4-26H2,1-3H3 |
InChI Key: | ZYSWVDPTOJQWHT-UHFFFAOYSA-N |
References: | Lopez Aparicio, F.J., Alonso Cermeno, F. Anales de Quimica, 55, 153 (1968). |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 424.42803102 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 424.42803102 |
Rotatable Bond Count: | 25 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 13.1 |
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