(E,E)-4,6-Dimethyl-2,4-heptadienoic Acid Ethyl Ester - CAS 67513-37-5
Catalog: |
BB067022 |
Product Name: |
(E,E)-4,6-Dimethyl-2,4-heptadienoic Acid Ethyl Ester |
CAS: |
67513-37-5 |
Synonyms: |
(2E, 4E)-4,6-Dimethylhepta-2,4-dienoic Acid Ethyl Ester; (2E,4E)-Ethyl 4,6-Dimethylhepta-2,4-dienoate |
IUPAC Name: | ethyl (2E,4E)-4,6-dimethylhepta-2,4-dienoate |
Description: | (E,E)-4,6-Dimethyl-2,4-heptadienoic Acid Ethyl Ester is a reactant in the synthesis of antibiotic RK-397. |
Molecular Weight: | 182.26 |
Molecular Formula: | C11H18O2 |
Canonical SMILES: | CCOC(=O)C=CC(=CC(C)C)C |
InChI: | InChI=1S/C11H18O2/c1-5-13-11(12)7-6-10(4)8-9(2)3/h6-9H,5H2,1-4H3/b7-6+,10-8+ |
InChI Key: | CZAVCBNPNBBVOI-LQPGMRSMSA-N |
References: | Guo, H., et. al. Org. Lett., 10, 3149 (2008). |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 182.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.130679813 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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