2-Octen-1-ol, (2Z)-
PubChem CID: 5364959
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| Compound Synonyms | (Z)-2-Octen-1-ol, cis-2-Octen-1-ol, 26001-58-1, (Z)-oct-2-en-1-ol, cis-2-Octenol, 2-Octen-1-ol, (Z)-, 2-Octen-1-ol, (2Z)-, 2-Octen-1-ol, cis-, FEMA No. 4615, S1Z48774TF, (2Z)-2-Octen-1-ol, UNII-S1Z48774TF, 2Z-Octen-1-ol, DTXSID201020805, (Z)-2-octenol, trans-1-Oct-2-enol, 2-(E)-Octen-1-ol, (2Z)-2-Octene-1-ol, SCHEMBL1171317, CHEBI:89054, FEMA 3887, DTXCID501020961, (2Z)-OCT-2-EN-1-OL, LMFA05000126, Q27161228 |
|---|---|
| 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 | CCCCC/C=CCO |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Description | Found in grapes, ripe bananas, mushroom volatiles and various other vegetable sources. Food flavour/aroma component |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 67.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-oct-2-en-1-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Inchi Key | AYQPVPFZWIQERS-SREVYHEPSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Liquid |
| Synonyms | (2E)-2-Octen-1-ol, (E)-2-Octen-1-ol, (E)-2-octenol, (E)-Oct-2-en-1-ol, (E)-oct-2-enol, 2-(E)-Octen-1-ol, FEMA 3887, trans-1-Oct-2-enol, trans-2-Octen-1-ol, trans-2-Octenol, (e)-2-Octenol, (e)-Oct-2-en-1-ol, (e)-Oct-2-enol, 2-(e)-Octen-1-ol, (z)-2-octen-1-ol, (z)-2-octenol, 2-octen-1-ol, (z)- |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CO |
| Compound Name | 2-Octen-1-ol, (2Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6- |
| Smiles | CCCCC/C=C\CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1913 - 2. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493 - 3. Outgoing r'ship
FOUND_INto/from Rhus Coriaria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698267 - 4. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1682