5-Hexen-1-ol
PubChem CID: 69963
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| Compound Synonyms | 5-Hexen-1-ol, 821-41-0, Hex-5-en-1-ol, 1-Hexen-6-ol, 5-Hexenol, UNII-57PD1RF6G7, MFCD00002981, 57PD1RF6G7, 6-hydroxy-1-hexene, 5-Hexene-1-ol, EINECS 212-477-4, 5-HEXENOL [FHFI], 1-HEXENE-6-OL, AI3-34797, DTXSID2074950, FEMA NO. 4351, 5-Hexen-1-ol, 98%, 5Hexenol, 5-hexanol, Hex5en1ol, hex-1-en-6-ol, SCHEMBL41920, HO(CH2)4CH=CH2, DTXCID0048266, BCP03575, BBL102594, STL556397, 1-Hexen-6-ol, 6-Hydroxy-1-hexene, AKOS009156957, CS-W013711, HY-W012995, BP-31163, MS-20464, SY020861, H0653, NS00022817, EN300-98901, Q27261513 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCCCCC=C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Fatty acyls |
| Description | cis-3-Hexen-1-ol, also known as (Z)-3-hexen-1-ol and leaf alcohol, is a colorless oily liquid with an intense grassy-green odor of freshly cut green grass and leaves. It is produced in small amounts by most plants and it acts as an attractant to many predatory insects. cis-3-Hexen-1-ol is a very important aroma compound that is used in fruit and vegetable flavors and in perfumes. The yearly production is about 30 tonnes . 5-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. 5-hexenol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 5-hexenol is a green tasting compound found in common thyme, which makes 5-hexenol a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 41.4 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hex-5-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O |
| Inchi Key | UIZVMOZAXAMASY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-Hexen-6-ol, 5-HEXEN-1-OL, Hex-5-en-1-ol, hex-5-en-1-ol |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CO |
| Compound Name | 5-Hexen-1-ol |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2 |
| Smiles | C=CCCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Lansium Parasiticum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090608 - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all