1,11-Tridecadiene-3,5,7,9-tetrayne
PubChem CID: 5322026
Connections displayed (default: 10).
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| Compound Synonyms | 1,11-Tridecadiene-3,5,7,9-tetrayne, 1WL39440KM, UNII-1WL39440KM, 2345-16-6, 1,11(E)-Tridecadien-3,5,7,9-tetrayne, KBEMPFYJJCTZIG-GQCTYLIASA-N, DTXSID201274367, Trideca-1,11-dien-3,5,7,9-tetrayn, Trideca-3,5,7,9-tetrain-1,11-dien, (11E)-1,11-Tridecadiene-3,5,7,9-tetrayne, Q27252991, 26130-86-9 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (11E)-trideca-1,11-dien-3,5,7,9-tetrayne |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C13H8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KBEMPFYJJCTZIG-GQCTYLIASA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -4.855 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.568 |
| Compound Name | 1,11-Tridecadiene-3,5,7,9-tetrayne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.063 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 164.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1638833999999996 |
| Inchi | InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4+ |
| Smiles | C/C=C/C#CC#CC#CC#CC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alpinia Nutans (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Barleria Buxifolia (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Callistemon Rigidus (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cissus Adnata (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dalbergia Riparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Diospyros Virginiana (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Ipomoea Obscura (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Morus Nigra (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Phlomoides Rotata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Phyllanthus Fraternus (Plant) Rel Props:Source_db:npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Piper Tuberculatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Pistacia Lentiscus (Plant) Rel Props:Source_db:npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Tamarix Ramosissima (Plant) Rel Props:Source_db:npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Tanacetum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all