3-Hexen-1-ol
PubChem CID: 10993
Connections displayed (default: 10).
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| Compound Synonyms | Hex-3-en-1-ol, 3-Hexen-1-ol, (e)-3-hexenol, gamma-Hexenol, DTXSID3047217, AKOS025243595, SB83963, SY106500, DB-315441 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Description | Hex-3-en-1-al, also known as 3-hexen-1-ol or cis-3-hexenol, 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. Hex-3-en-1-al is soluble (in water) and an extremely weak acidic compound (based on its pKa). Hex-3-en-1-al can be found in burdock, which makes hex-3-en-1-al a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hex-3-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 1.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C6H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFLHIIWVXFIJGU-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.859 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.107 |
| Synonyms | 3-Hexen-1-ol, 3-Hexenol, (Z)-3-Hexeno1, 3-Hexen-1-ol, (e)-isomer, 3-Hexen-1-ol, (Z)-isomer, cis-3-Hexen-1-ol, cis-3-Hexenol |
| Compound Name | 3-Hexen-1-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -1.0882982 |
| Inchi | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3 |
| Smiles | CCC=CCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty alcohols |
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