6-Nonenyl acetate, (6Z)-
PubChem CID: 5363389
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| Compound Synonyms | cis-6-Nonenyl Acetate, 76238-22-7, [(Z)-non-6-enyl] acetate, 6-Nonenyl acetate, (6Z)-, ACETIC ACID CIS-6-NONEN-1-YL ESTER, 6-Nonen-1-ol, acetate, (Z)-, 6-Nonen-1-ol, acetate, (6Z)-, (Z)-6-Nonenyl acetate, (Z)-Non-6-enyl acetate, cis-6-Nonen-1-yl acetate, 6-Nonen-1-ol, 1-acetate, (6Z)-, F422N6Z0L0, EINECS 278-397-7, (Z)-6-nonen-1-yl acetate, UNII-F422N6Z0L0, AI3-34802, (6Z)-6-Nonenyl acetate, FEMA NO. 4554, 6-NONENYL ACETATE, CIS-, Acetic Acid cis-6-Nonenyl Ester, DTXSID701015297, ((Z)-non-6-enyl) acetate, MFCD00059409, ACETICACIDCIS-6-NONEN-1-YLESTER, cis-non-6-enyl acetate, (Z)-non-6-enyl ethanoate, (Z)-6 Nonen-1-yl acetate, SCHEMBL3754151, (Z)-Non-6-en-1-yl acetate, (6Z)-non-6-en-1-yl acetate, DTXCID801473610, AKOS025295724, A0921, NS00089563, Q27277609 |
|---|---|
| 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=CCCCCCOC=O)C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-non-6-enyl] acetate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O2 |
| Inchi Key | DFRXMRZQBMFKMI-PLNGDYQASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | (z)-6-nonenyl acetate |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 6-Nonenyl acetate, (6Z)- |
| Exact Mass | 184.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5H,3,6-10H2,1-2H3/b5-4- |
| Smiles | CC/C=C\CCCCCOC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| 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