1,3,5-Undecatriene, (3E,5Z)-
PubChem CID: 5352367
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| Compound Synonyms | (3E,5Z)-undeca-1,3,5-triene, Cystophorene, (Z,E)-Undeca-1,3,5-triene, 19883-27-3, (3E,5Z)-1,3,5-Undecatriene, cis-Galbanolene, X2G6CDE7MH, 1,3,5-Undecatriene, (3E,5Z)-, GALBANOLENE, (E,Z)-1,3,5-undecatriene, EINECS 243-397-8, (Z,E)-1,3,5-UNDECATRIENE, 1,3,5-Undecatriene, (Z,E)-, UNDECATRIENE, (3E,5Z)-1,3,5-, 3-TRANS,5-CIS-1,3,5-UNDECATRIENE, FEMA NO. 3795, (3E,5Z)-, UNII-X2G6CDE7MH, cis,trans-1,3,5-Undecatriene, 1,3(E),5(Z)-undecatriene, 1-(E,Z)-3,5-undecatriene, 1,(E)3,(Z)5-Undecatriene, CHEBI:191588, DTXSID601015894, Undeca-1,3,5-triene (Isomer 1), Q27293433 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Food additive listed in the EAFUS Food Additive Database (Jan. 2001). Occurs in Galbanum extract (Ferula galbaniflua). Cystophorene is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5Z)-undeca-1,3,5-triene |
| Prediction Hob | 1.0 |
| Class | Unsaturated hydrocarbons |
| Xlogp | 4.8 |
| Superclass | Hydrocarbons |
| Subclass | Olefins |
| Molecular Formula | C11H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JQQDKNVOSLONRS-STRRHFTISA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.019 |
| Rotatable Bond Count | 6.0 |
| State | Liquid |
| Logd | 3.564 |
| Synonyms | (E,E)-1,3,5-Undecatriene, (E,E)-Undeca-1,3,5-triene, 1,3,5-Undecatriene, (E,E)-, Cystophorene, Undeca-1,3,5-triene, Undeca-1,3,5-triene (Isomer 1), (e,e)-1,3,5-Undecatriene, (e,e)-Undeca-1,3,5-triene |
| Compound Name | 1,3,5-Undecatriene, (3E,5Z)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.387043 |
| Inchi | InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5+,11-9- |
| Smiles | CCCCC/C=C\C=C\C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Alkatrienes |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all