3-Tridecen-1-yne, (E)-
PubChem CID: 5363493
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E)-3-Tridecen-1-yne, 3-Tridecen-1-yne, (E)-, 74744-41-5, (3E)-3-Tridecen-1-yne #, DIJCALIAWJLDBT-FNORWQNLSA-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 | 156.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-tridec-3-en-1-yne |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C13H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIJCALIAWJLDBT-FNORWQNLSA-N |
| Fcsp3 | 0.6923076923076923 |
| Logs | -5.271 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.961 |
| Compound Name | 3-Tridecen-1-yne, (E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 178.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.0526778 |
| Inchi | InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1,5,7H,4,6,8-13H2,2H3/b7-5+ |
| Smiles | CCCCCCCCC/C=C/C#C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients