5-Octenyl acetate, (5Z)-
PubChem CID: 5352838
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| Compound Synonyms | cis-5-Octenyl acetate, 5Z-Octenyl acetate, 71978-00-2, [(Z)-oct-5-enyl] acetate, Z-5-octenyl acetate, (Z)-5-octenyl acetate, Fema No. 4671, (5Z)-Octen-1-ol acetate, Y3L7K2K8JQ, 5-Octenyl acetate, (5Z)-, (5Z)-OCT-5-EN-1-YL ACETATE, (Z)-Oct-5-en-1-yl acetate, (Z)-5-Octen-1-yl, acetate, starbld0002010, UNII-Y3L7K2K8JQ, SCHEMBL8138710, DTXSID00825376, CHEBI:180218, (Z)-5-Octenyl acetate, >=95%, 5-Octen-1-ol, 1-acetate, (5Z)-, (5E)-2-(2,6-Dimethyl-4-morpholinyl)-5-(3-hydroxybenzylidene)-1,3-thiazol-4(5H)-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CC/C=CCCCCOC=O)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of bananas. 5Z-Octenyl acetate is found in fruits. |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-oct-5-enyl] acetate |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohol esters |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Inchi Key | NBYQSRDPBAVRDT-PLNGDYQASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 5-Octenyl acetate, 5Z-Octenyl acetate, 5Z-Octenyl acetic acid, (5Z)-Oct-5-en-1-yl acetic acid, (z)-5-octenyl acetate |
| Substituent Name | Fatty alcohol ester, Acetate salt, Carboxylic acid ester, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 5-Octenyl acetate, (5Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| 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/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h4-5H,3,6-9H2,1-2H3/b5-4- |
| Smiles | CC/C=C\CCCCOC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohol esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493