1,3,5-Undecatriene, (E,Z)-
PubChem CID: 5367410
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| Compound Synonyms | (E,Z)-Undeca-1,3,5-triene, (3Z,5E)-1,3,5-Undecatriene, 1,3,5-Undecatriene, (E,Z)-, 1,3,5-Undecatriene, (3Z,5E)-, 51447-08-6, UNII-1Z505W410B, EINECS 257-214-4, 1Z505W410B, 1,3,5-Undecatriene, (Z,E)-, cis,trans-1,3,5-Undecatriene, AKOS024263056, Q27253282 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,5E)-undeca-1,3,5-triene |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Is Pains | False |
| Molecular Formula | C11H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JQQDKNVOSLONRS-BABZSUFTSA-N |
| Fcsp3 | 0.4545454545454545 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 1,3,5-Undecatriene, (E,Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients