Ethyl 5-hexenoate
PubChem CID: 6420258
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| Compound Synonyms | Ethyl 5-hexenoate, ethyl hex-5-enoate, 54653-25-7, Ethyl-5-hexenoate, 5-Hexenoic acid, ethyl ester, FEMA No. 3976, Ethyl 5-hexenoate [FIFH], HK3B97IJ51, Hex-5-enoic acid, ethyl ester, 5-(ethoxycarbonyl)-1-pentene, CHEBI:87299, DTXSID60203111, ETHYL 5-HEXENOATE [FHFI], Ethyl 5-hexenoate (FIFH), MFCD00671844, 5-Hexenoic acid ethyl ester, UNII-HK3B97IJ51, Ethyl5-hexenoate, SCHEMBL167032, DTXCID60125602, AKOS016016647, DB-370512, NS00022354, Q27159504, 611-180-0 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | It is used as a food additive . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl hex-5-enoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C8H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RJLJOXJZWMGEFD-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Rotatable Bond Count | 6.0 |
| Synonyms | Hex-5-enoic Acid, Ethyl Ester |
| Compound Name | Ethyl 5-hexenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 142.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7242275999999999 |
| Inchi | InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h3H,1,4-7H2,2H3 |
| Smiles | CCOC(=O)CCCC=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients