2-Octen-4-ol, (2E)-
PubChem CID: 5366203
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| Compound Synonyms | 2-Octen-4-ol, (E)-Oct-2-en-4-ol, 4798-61-2, (2E)-2-Octen-4-ol, (E)-2-Octen-4-ol, 2-Octenol-4, trans-2-Octen-4-ol, 20125-81-9, 2-Octen-4-ol, (E)-, 2-Octen-4-ol, (2E)-, Oct-2-en-4-ol, 9IDJ8Q7S9T, EINECS 225-357-1, EINECS 243-532-0, (2E)-oct-2-en-4-ol, BUTYL PROPENYL CARBINOL, AI3-28628, FEMA NO. 3888, 2-OCTEN-4-OL, TRANS-, DTXSID601316363, (+/-)-(E)-2-Octen-4-ol, NSC 93816, octene-2-ol-4, (E)-2-OCTEN-4-OL [FHFI], (+/-)-2-OCTEN-4-OL, (2E)-, UNII-9IDJ8Q7S9T, DTXSID00863455, NSC93816, SCHEMBL1245104, SCHEMBL1245107, FEMA 3888, DTXCID40909306, DTXCID50812074, CHEBI:195850, NSC-93816, AKOS006271756, NS00084272, Q27272598, 225-357-1 |
|---|---|
| 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=C/C)))O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.6 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-oct-2-en-4-ol |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.2 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Inchi Key | WGDUEFYADBRNKG-GQCTYLIASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | (2E)-2-Octen-4-ol, (e)-2-Octen-4-ol, (e)-Oct-2-en-4-ol, 2-Octen-4-ol, 2-Octenol-4, FEMA 3888, Oct-2-en-4-ol, trans-2-Octen-4-ol, 2-octen-4-ol |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | 2-Octen-4-ol, (2E)- |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+ |
| Smiles | CCCCC(/C=C/C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Secondary alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Vanilla Planifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279