Ethyl (Z)-4-decenoate
PubChem CID: 5463488
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| Compound Synonyms | Ethyl (Z)-4-decenoate, 7367-84-2, ethyl (Z)-dec-4-enoate, Ethyl cis-4-decenoate, 4-Decenoic acid, ethyl ester, (Z)-, Ethyl (4Z)-4-decenoate, EINECS 230-915-2, ETHYL (CIS)-4-DECENOATE, DTXSID801314844, AKOS006229459, NS00043793, 230-915-2 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (Z)-dec-4-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AWNIQMQADACLCJ-HJWRWDBZSA-N |
| Fcsp3 | 0.75 |
| Logs | -3.508 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.517 |
| Compound Name | Ethyl (Z)-4-decenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.875797199999999 |
| Inchi | InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8- |
| Smiles | CCCCC/C=C\CCC(=O)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients