Dodec-5-en-7-yne
PubChem CID: 27820
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodec-5-en-7-yne |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C12H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RAWCIZOYSXHPJN-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.168 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.493 |
| Compound Name | Dodec-5-en-7-yne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 164.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7353103999999995 |
| Inchi | InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8H2,1-2H3 |
| Smiles | CCCCC=CC#CCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients