Methyl 4-octenoate, (Z)-
PubChem CID: 5352774
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| Compound Synonyms | Methyl (Z)-oct-4-enoate, 21063-71-8, Methyl cis-4-octenoate, 4-Octenoic acid, methyl ester, (Z)-, Methyl 4-octenoate, (Z)-, 4-Octenoic acid, methyl ester, (4Z)-, cis-4-Octenoic acid, methyl ester, Methyl (Z)-4-octenoate, FEMA No. 3367, A9OC5106PK, EINECS 244-188-4, UNII-A9OC5106PK, DTXSID20885159, METHYL CIS-4-OCTENOATE [FHFI], (Z)-Methyl 4-octenoate, Methyl (4Z)-4-octenoate, SCHEMBL18339165, (4Z)-4-octenoic acid methylester, DTXCID701024557, DB-223133, NS00050470, Q27273814 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-oct-4-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C9H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SSPBQLGVUAXSMH-WAYWQWQTSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.69 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.061 |
| Compound Name | Methyl 4-octenoate, (Z)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 156.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8993950000000002 |
| Inchi | InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5- |
| Smiles | CCC/C=C\CCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients