(E,E)-4,6-Dimethyl-2,4-heptadienoic Acid Methyl Ester - CAS 1215170-97-0
Catalog: |
BB067021 |
Product Name: |
(E,E)-4,6-Dimethyl-2,4-heptadienoic Acid Methyl Ester |
CAS: |
1215170-97-0 |
Synonyms: |
(2E, 4E)-4,6-Dimethylhepta-2,4-dienoic Acid Methyl Ester; (2E,4E)-Methyl 4,6-Dimethylhepta-2,4-dienoate |
IUPAC Name: | methyl (2E,4E)-4,6-dimethylhepta-2,4-dienoate |
Description: | (E,E)-4,6-Dimethyl-2,4-heptadienoic Acid Methyl Ester is used in the preparation of 4-Methyldienoates. |
Molecular Weight: | 168.23 |
Molecular Formula: | C10H16O2 |
Canonical SMILES: | CC(C)C=C(C)C=CC(=O)OC |
InChI: | InChI=1S/C10H16O2/c1-8(2)7-9(3)5-6-10(11)12-4/h5-8H,1-4H3/b6-5+,9-7+ |
InChI Key: | WZIPBDJGYYRYRQ-SBIWHPGTSA-N |
References: | Markiewicz, J.T., et. al. J. Org. Chem., 75, 2061 (2010). |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 168.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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