Ethyl 2-octenoate, (2E)-
PubChem CID: 5364399
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| Compound Synonyms | ethyl trans-2-octenoate, 7367-82-0, Ethyl (E)-oct-2-enoate, Ethyl 2-octenoate, 2351-90-8, Ethyl oct-2-enoate, 2-Octenoic acid, ethyl ester, Ethyl 2-octenoate, trans-, FEMA No. 3643, Ethyl (E)-2-octenoate, 2-Octenoic acid, ethyl ester, (E)-, Ethyl 2-octenoate, (2E)-, 2-Octenoic acid, ethyl ester, (2E)-, EINECS 230-913-1, 44BPD919TX, EINECS 219-087-3, (E)-ethyl oct-2-enoate, AI3-36708, CHEBI:87325, DTXSID701020036, (E)-Oct-2-enoic acid ethyl ester, ETHYL TRANS-2-OCTENOATE [FHFI], trans-2-Octenoic acid ethyl ester, Octenoic acid, ethyl ester, DTXSID5062344, Ethyl 2-octenoate, (E)-, UNII-44BPD919TX, 2-octenioc acid, MFCD00015287, (E)-ethyloct-2-enoate, (2E)-ethyl 2-octenoate, 2-Octenoic acid,ethylester, Ethyl (2E)-2-octenoate #, SCHEMBL872985, DTXCID1036888, DTXCID70210937, CHEBI:195848, AKOS015836246, HY-W046907, Ethyl-trans-2-octenoate, >=98%, FG, AS-58028, CS-0098428, NS00012445, O0286, D75938, O80071, Q27258735, 219-087-3, 230-913-1 |
|---|---|
| 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 | CCCCC/C=C/C=O)OCC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (E)-oct-2-enoate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Inchi Key | AISZSTYLOVXFII-CMDGGOBGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | ethyl 2-octenoate |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C(=O)OC |
| Compound Name | Ethyl 2-octenoate, (2E)- |
| 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 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+ |
| Smiles | CCCCC/C=C/C(=O)OCC |
| 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 Cydonia Oblonga (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700360