6-Tridecyne
PubChem CID: 142600
Connections displayed (default: 10).
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| Compound Synonyms | 6-Tridecyne, 6-C13H24, 42371-66-4, tridec-6-yne, 6-Tridecane, 6-Tridecyne #, DTXSID30962440, DFZSEVCTTZHGAS-UHFFFAOYSA-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 | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tridec-6-yne |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C13H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFZSEVCTTZHGAS-UHFFFAOYSA-N |
| Fcsp3 | 0.8461538461538461 |
| Logs | -5.703 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.517 |
| Compound Name | 6-Tridecyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.188 |
| Formal Charge | 0.0 |
| 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 | 0.0 |
| Esol | -4.326477 |
| Inchi | InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-11H2,1-2H3 |
| Smiles | CCCCCCC#CCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients