Ethyl 4-octenoate, (4Z)-
PubChem CID: 5352770
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| Compound Synonyms | Ethyl cis-4-octenoate, Ethyl (Z)-oct-4-enoate, Ethyl (Z)-4-octenoate, 34495-71-1, 4-Octenoic acid, ethyl ester, (4Z)-, 4-Octenoic acid, ethyl ester, (Z)-, Ethyl 4-octenoate, (4Z)-, FEMA No. 3344, EINECS 252-065-1, EI52D4C073, Ethyl (4Z)-4-octenoate, DTXSID40885590, ETHYL-4-OCTENOATE, (Z)-, ETHYL CIS-4-OCTENOATE [FHFI], WE(2:0/8:1(4Z)), ( Z)-Ethyl 4-octenoate, UNII-EI52D4C073, (4Z)-ethyl 4-octenoate, Ethyl 4-octenoate, (Z)-, SCHEMBL3505842, DTXCID001024956, LMFA07010523, AKOS006282273, NS00054973, E86731, Q27277198 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (Z)-oct-4-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WRUZCQAJIHSQPL-SREVYHEPSA-N |
| Fcsp3 | 0.7 |
| Logs | -3.017 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.66 |
| Compound Name | Ethyl 4-octenoate, (4Z)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1534624 |
| Inchi | InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6- |
| Smiles | CCC/C=C\CCC(=O)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all