8-Dodecen-1-ol, 1-acetate, (8Z)-
PubChem CID: 5363377
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| Compound Synonyms | 28079-04-1, (Z)-8-Dodecenyl acetate, (Z)-8-Dodecen-1-ol acetate, (Z)-8-DODECEN-1-YL ACETATE, 8Z-Dodecenyl acetate, (Z)-Dodec-8-enyl acetate, [(Z)-dodec-8-enyl] acetate, Z-8-dodecenyl acetate, (Z)-8-Dodecen-1-ylacetate, 8-Dodecen-1-ol, acetate, (Z)-, Orfralure, 0MWD335OTN, DENACIL, ORFAMONE, (8Z)-Dodecenyl Acetate, 8-Dodecen-1-ol, 1-acetate, (8Z)-, Denacyl, (Z)-Dodec-8-en-1-yl acetate, CIS-8-DODECEN-1-YL ACETATE, 107874-02-2, cis-8-Dodecen-1-ol acetate, cis-8-Dodecenyl acetate, UNII-0MWD335OTN, EINECS 248-823-6, AI3-33993, 8Z-Dodecen-1-yl Acetate, (8Z)-8-Dodecenyl acetate, Z-8-Dodecen-1-ol acetate, Z-8-Dodecen-1-yl acetate, SCHEMBL408612, DTXSID9035543, Z8-12 Ac, (8Z)-1-acetate8-dodecen-1-ol, (8Z)-dodec-8-en-1-yl acetate, CHEBI:179337, LMFA07010245, AKOS015843115, AS-58056, CS-0068413, NS00004035, D87855, (Z)-8-Dodecen-1-ol acetate CAS 28079-04-1, Q27236972, (Z)-8-Dodecen-1-yl acetate 100 microg/mL in Acetonitrile |
|---|---|
| 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 | CCC/C=CCCCCCCCOC=O)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-dodec-8-enyl] acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26O2 |
| Inchi Key | SUCYDSJQVVGOIW-WAYWQWQTSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | z-8-dodecenyl acetate |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 8-Dodecen-1-ol, 1-acetate, (8Z)- |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| 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/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3/b6-5- |
| Smiles | CCC/C=C\CCCCCCCOC(=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 Averrhoa Carambola (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/11545375