Ethyl 10-undecenoate
PubChem CID: 12729
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| Compound Synonyms | ETHYL 10-UNDECENOATE, 692-86-4, Ethyl undec-10-enoate, Ethyl undecylenate, 10-Undecenoic acid, ethyl ester, Ethyl undecenoate, Ethyl 10-undecylenate, Ethyl 10-hendecenoate, FEMA No. 2461, 10-Undecenoic Acid Ethyl Ester, EINECS 211-734-8, UNII-7P1S77T8BF, Undecenoic acid, ethyl ester, BRN 1769949, 7P1S77T8BF, DTXSID4044828, AI3-00664, DUB UE, MFCD00009220, DTXCID2024828, ETHYL 10-UNDECENOATE [FCC], ETHYL 10-UNDECENOATE [FHFI], Ethyl 10-Undecenoate, Ethyl Undecenoate, Undecylenoate Acid, Ethyl undec10enoate, Ethyl 10hendecenoate, Ethyl 10undecylenate, Ethyl undecylenate, 97%, SCHEMBL53665, 10Undecenoic acid, ethyl ester, CHEMBL3182950, FEMA 2461, undec-10-enoic acid ethyl ester, ETHYL UNDECYLENATE [INCI], CHEBI:171792, Tox21_301705, LMFA07010850, AKOS015893925, Ethyl 10-undecenoate, >=97%, FG, FU35443, HY-W127559, NCGC00256131-01, AS-87791, CAS-692-86-4, DB-055250, CS-0185781, E0771, NS00012473, E78909, Q27268662 |
|---|---|
| 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 | C=CCCCCCCCCC=O)OCC |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring ingredient. Found in rum and cognac |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 164.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl undec-10-enoate |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H24O2 |
| Inchi Key | FXNFFCMITPHEIT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| State | Liquid |
| Synonyms | 10-Undecenoic acid, ethyl ester, Ethyl 10-hendecenoate, Ethyl 10-undecenoate, Ethyl 10-undecylenate, Ethyl undec-10-enoate, Ethyl undecenoate, Ethyl undecylenate, FEMA 2461, Undecenoic acid, ethyl ester, Ethyl 10-undecenoic acid, ethyl undec-10-enoate |
| Esol Class | Soluble |
| Functional Groups | C=CC, COC(C)=O |
| Compound Name | Ethyl 10-undecenoate |
| Kingdom | Organic compounds |
| Exact Mass | 212.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3 |
| Smiles | CCOC(=O)CCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty acid esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108