1,3,5-Undecatriene
PubChem CID: 5367412
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| Compound Synonyms | 1,3,5-Undecatriene, 16356-11-9, (E,E)-Undeca-1,3,5-triene, 19883-29-5, (3E,5E)-undeca-1,3,5-triene, (3E,5E)-1,3,5-Undecatriene, (E,E)-1,3,5-Undecatriene, trans-Galbanolene, 1,3,5-Undecatriene, (E,E)-, 1,3,5-Undecatriene, (3E,5E)-, EGN72213GC, FEMA No. 3795, Undecatriene, EINECS 240-416-1, UNII-PWB1EM60KN, DTXSID9047546, UNII-EGN72213GC, EINECS 243-398-3, MFCD00015699, PWB1EM60KN, 1-(E,E)-3,5-Undecatriene, DTXCID7027546, JQQDKNVOSLONRS-NYCRTDSVSA-N, DTXSID101016209, E,E)-1,3,5-UNDECATRIENE, Tox21_303704, AKOS015903989, NCGC00357023-01, TRANS,TRANS-1,3,5-UNDECATRIENE, CAS-16356-11-9, FEMA NO. 3795, (3E,5E)-, NS00082501, U0062, Q27277175 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-undeca-1,3,5-triene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C11H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JQQDKNVOSLONRS-JEGFTUTRSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.218 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.376 |
| Compound Name | 1,3,5-Undecatriene |
| 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 |
| 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 |
- 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 - 5. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all