Hexa-2,4-dien-1-ol
PubChem CID: 8104
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| Compound Synonyms | hexa-2,4-dien-1-ol, DTXSID8047632, hexa-2,4-diene-1-ol, 2,a4-aHexadien-a1-aol, E,E-2,4-Hexadien-1-ol, SY106380, DB-019214, NS00079202 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | MEIRRNXMZYDVDW-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-Hydroxy-2,4-hexadiene, 2,4-Hexadiene-1-ol, 2,4-Hexadienol, Hexacose, Hexadenol, Hexenol, n-Hexa-2,4-dien-1-ol, Sorbic alcohol, Sorbinic alcohol, Sorbyl alcohol |
| Heavy Atom Count | 7.0 |
| Compound Name | Hexa-2,4-dien-1-ol |
| Description | 2,4-hexadien-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. 2,4-hexadien-1-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-hexadien-1-ol is a sweet, almond, and green tasting compound found in soy bean, which makes 2,4-hexadien-1-ol a potential biomarker for the consumption of this food product. 2,4-hexadien-1-ol may be a unique S.cerevisiae (yeast) metabolite. |
| Exact Mass | 98.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0732 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.2 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 98.14 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexa-2,4-dien-1-ol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3 |
| Smiles | CC=CC=CCO |
| Xlogp | 1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H10O |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all