2-Ethoxyhexa-3,5-diene - CAS 56752-55-7
Catalog: |
BB055988 |
Product Name: |
2-Ethoxyhexa-3,5-diene |
CAS: |
56752-55-7 |
Synonyms: |
5-Ethoxy-1,3-hexadiene |
IUPAC Name: | (3E)-5-ethoxyhexa-1,3-diene |
Description: | 2-Ethoxyhexa-3,5-diene is used in removal of methoxypyrazines and other compounds from wine by using molecularly imprinted polymers. |
Molecular Weight: | 126.2 |
Molecular Formula: | C8H14O |
Canonical SMILES: | CCOC(C)C=CC=C |
InChI: | InChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-8H,1,5H2,2-3H3/b7-6+ |
InChI Key: | IXTXFMUQEVEFFL-VOTSOKGWSA-N |
Solubility: | Chloroform (Soluble), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Inert atmosphere, Light Sensitive |
References: | Kelm, M., et al., U.S. Pat. Appl. Publ., (2011). |
Complexity: | 94.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 126.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.104465066 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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