Z-1,6-Tridecadiene
PubChem CID: 5364461
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| Compound Synonyms | Z-1,6-Tridecadiene, (6Z)-1,6-Tridecadiene #, HUPRDMYBAAXVEC-QBFSEMIESA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z)-trideca-1,6-diene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Is Pains | False |
| Molecular Formula | C13H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HUPRDMYBAAXVEC-QBFSEMIESA-N |
| Fcsp3 | 0.6923076923076923 |
| Rotatable Bond Count | 9.0 |
| Compound Name | Z-1,6-Tridecadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.188 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 180.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 180.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.364576999999999 |
| Inchi | InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,11,13H,1,4-10,12H2,2H3/b13-11- |
| Smiles | CCCCCC/C=C\CCCC=C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients